4-benzylmorpholine;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;2,4-dimethylpyrimidine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;N-methylmethanamine;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;bis(4-methylpyridin-2-amine);4-methylpyridine;4-methylpyridine-2-carbonitrile;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyrimidin-5-amine

C241H321FN50O14S4 — CID 157297381

IUPAC4-benzylmorpholine;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;2,4-dimethylpyrimidine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;N-methylmethanamine;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;bis(4-methylpyridin-2-amine);4-methylpyridine;4-methylpyridine-2-carbonitrile;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyrimidin-5-amine
SMILESCNC.Cc1cc(CN)ncn1.Cc1cc(N)ncn1.Cc1cc[nH]c(=O)c1.Cc1ccc(F)cc1S(C)(=O)=O.Cc1cccc(C(N)=O)c1.Cc1cccc(CN(C)C)c1.Cc1cccc(CN)c1.Cc1ccccc1C#N.Cc1ccccc1C(=O)N(C)C.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1CN(C)C.Cc1ccccc1CN1CCCC1.Cc1ccccc1CN1CCCCC1.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(C#N)c1.Cc1ccnc(C(N)=O)c1.Cc1ccnc(C)n1.Cc1ccnc(CN)c1.Cc1ccnc(CN)n1.Cc1ccnc(N)c1.Cc1ccnc(N)c1.Cc1ccnc(N)n1.Cc1ccncc1.Cc1ccncc1S(C)(=O)=O.Cc1ncncc1N.Cc1ncncc1N(C)C.[H]/N=C(/c1ccccc1C)N(C)C.[H]/N=C(\N)c1ccccc1C.c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C13H19N.C12H17N.C11H15NO.C10H14N2.C10H13NO.2C10H15N.C8H9FO2S.C8H10N2.2C8H9NO.2C8H11N.C8H7N.C8H10O2S.C7H11N3.C7H8N2O.C7H10N2.C7H6N2.2C7H9NO2S.2C6H9N3.3C6H8N2.C6H7NO.C6H7N.3C5H7N3.C2H7N/c1-12-7-3-4-8-13(12)11-14-9-5-2-6-10-14;1-11-6-2-3-7-12(11)10-13-8-4-5-9-13;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;1-8-6-4-5-7-9(8)10(11)12(2)3;1-8-6-4-5-7-9(8)10(12)11(2)3;1-9-5-4-6-10(7-9)8-11(2)3;1-9-6-4-5-7-10(9)8-11(2)3;1-6-3-4-7(9)5-8(6)12(2,10)11;1-6-4-2-3-5-7(6)8(9)10;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-3-2-4-8(5-7)6-9;2*1-7-4-2-3-5-8(7)6-9;1-7-5-3-4-6-8(7)11(2,9)10;1-6-7(10(2)3)4-8-5-9-6;1-5-2-3-9-6(4-5)7(8)10;2*1-6-2-3-9-7(4-6)5-8;1-6-3-4-8-5-7(6)11(2,9)10;1-6-4-2-3-5-7(6)11(8,9)10;1-5-2-6(3-7)9-4-8-5;1-5-2-3-8-6(4-7)9-5;1-5-3-4-7-6(2)8-5;2*1-5-2-3-8-6(7)4-5;1-5-2-3-7-6(8)4-5;1-6-2-4-7-5-3-6;1-4-5(6)2-7-3-8-4;1-4-2-5(6)8-3-7-4;1-4-2-3-7-5(6)8-4;1-3-2/h3-4,7-8H,2,5-6,9-11H2,1H3;2-3,6-7H,4-5,8-10H2,1H3;1-5H,6-10H2;4-7,11H,1-3H3;4-7H,1-3H3;2*4-7H,8H2,1-3H3;3-5H,1-2H3;2-5H,1H3,(H3,9,10);2*2-5H,1H3,(H2,9,10);2*2-5H,6,9H2,1H3;2-5H,1H3;3-6H,1-2H3;4-5H,1-3H3;2-4H,1H3,(H2,8,10);2-4H,5,8H2,1H3;2-4H,1H3;3-5H,1-2H3;2-5H,1H3,(H2,8,9,10);2,4H,3,7H2,1H3;2-3H,4,7H2,1H3;3-4H,1-2H3;2*2-4H,1H3,(H2,7,8);2-4H,1H3,(H,7,8);2-5H,1H3;2-3H,6H2,1H3;2*2-3H,1H3,(H2,6,7,8);3H,1-2H3/b;;;11-10-;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyBBMPDUMTYZSHDQ-WYIQPMRMSA-N
MW4289.82 g/mol
LogP37.38
Rot. Bonds26

About 4-benzylmorpholine;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;2,4-dimethylpyrimidine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;N-methylmethanamine;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;bis(4-methylpyridin-2-amine);4-methylpyridine;4-methylpyridine-2-carbonitrile;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyrimidin-5-amine

4-benzylmorpholine;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;2,4-dimethylpyrimidine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;N-methylmethanamine;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;bis(4-methylpyridin-2-amine);4-methylpyridine;4-methylpyridine-2-carbonitrile;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyrimidin-5-amine (PubChem CID 157297381) has the molecular formula C241H321FN50O14S4 and a molecular weight of 4289.82 g/mol. Its IUPAC name is 4-benzylmorpholine;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;2,4-dimethylpyrimidine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;N-methylmethanamine;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;bis(4-methylpyridin-2-amine);4-methylpyridine;4-methylpyridine-2-carbonitrile;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyrimidin-5-amine.

Molecular Properties

Compound Name4-benzylmorpholine;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;2,4-dimethylpyrimidine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;N-methylmethanamine;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;bis(4-methylpyridin-2-amine);4-methylpyridine;4-methylpyridine-2-carbonitrile;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyrimidin-5-amine
PubChem CID157297381
Molecular FormulaC241H321FN50O14S4
Molecular Weight4289.82 g/mol
Exact Mass4286.48
IUPAC Name4-benzylmorpholine;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;2,4-dimethylpyrimidine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;N-methylmethanamine;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;bis(4-methylpyridin-2-amine);4-methylpyridine;4-methylpyridine-2-carbonitrile;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyrimidin-5-amine
SMILESCNC.Cc1cc(CN)ncn1.Cc1cc(N)ncn1.Cc1cc[nH]c(=O)c1.Cc1ccc(F)cc1S(C)(=O)=O.Cc1cccc(C(N)=O)c1.Cc1cccc(CN(C)C)c1.Cc1cccc(CN)c1.Cc1ccccc1C#N.Cc1ccccc1C(=O)N(C)C.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1CN(C)C.Cc1ccccc1CN1CCCC1.Cc1ccccc1CN1CCCCC1.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(C#N)c1.Cc1ccnc(C(N)=O)c1.Cc1ccnc(C)n1.Cc1ccnc(CN)c1.Cc1ccnc(CN)n1.Cc1ccnc(N)c1.Cc1ccnc(N)c1.Cc1ccnc(N)n1.Cc1ccncc1.Cc1ccncc1S(C)(=O)=O.Cc1ncncc1N.Cc1ncncc1N(C)C.[H]/N=C(/c1ccccc1C)N(C)C.[H]/N=C(\N)c1ccccc1C.c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C13H19N.C12H17N.C11H15NO.C10H14N2.C10H13NO.2C10H15N.C8H9FO2S.C8H10N2.2C8H9NO.2C8H11N.C8H7N.C8H10O2S.C7H11N3.C7H8N2O.C7H10N2.C7H6N2.2C7H9NO2S.2C6H9N3.3C6H8N2.C6H7NO.C6H7N.3C5H7N3.C2H7N/c1-12-7-3-4-8-13(12)11-14-9-5-2-6-10-14;1-11-6-2-3-7-12(11)10-13-8-4-5-9-13;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;1-8-6-4-5-7-9(8)10(11)12(2)3;1-8-6-4-5-7-9(8)10(12)11(2)3;1-9-5-4-6-10(7-9)8-11(2)3;1-9-6-4-5-7-10(9)8-11(2)3;1-6-3-4-7(9)5-8(6)12(2,10)11;1-6-4-2-3-5-7(6)8(9)10;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-3-2-4-8(5-7)6-9;2*1-7-4-2-3-5-8(7)6-9;1-7-5-3-4-6-8(7)11(2,9)10;1-6-7(10(2)3)4-8-5-9-6;1-5-2-3-9-6(4-5)7(8)10;2*1-6-2-3-9-7(4-6)5-8;1-6-3-4-8-5-7(6)11(2,9)10;1-6-4-2-3-5-7(6)11(8,9)10;1-5-2-6(3-7)9-4-8-5;1-5-2-3-8-6(4-7)9-5;1-5-3-4-7-6(2)8-5;2*1-5-2-3-8-6(7)4-5;1-5-2-3-7-6(8)4-5;1-6-2-4-7-5-3-6;1-4-5(6)2-7-3-8-4;1-4-2-5(6)8-3-7-4;1-4-2-3-7-5(6)8-4;1-3-2/h3-4,7-8H,2,5-6,9-11H2,1H3;2-3,6-7H,4-5,8-10H2,1H3;1-5H,6-10H2;4-7,11H,1-3H3;4-7H,1-3H3;2*4-7H,8H2,1-3H3;3-5H,1-2H3;2-5H,1H3,(H3,9,10);2*2-5H,1H3,(H2,9,10);2*2-5H,6,9H2,1H3;2-5H,1H3;3-6H,1-2H3;4-5H,1-3H3;2-4H,1H3,(H2,8,10);2-4H,5,8H2,1H3;2-4H,1H3;3-5H,1-2H3;2-5H,1H3,(H2,8,9,10);2,4H,3,7H2,1H3;2-3H,4,7H2,1H3;3-4H,1-2H3;2*2-4H,1H3,(H2,7,8);2-4H,1H3,(H,7,8);2-5H,1H3;2-3H,6H2,1H3;2*2-3H,1H3,(H2,6,7,8);3H,1-2H3/b;;;11-10-;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyBBMPDUMTYZSHDQ-WYIQPMRMSA-N
XLogP37.38
TPSA1041.15 Ų
H-Bond Donors19
H-Bond Acceptors56
Rotatable Bonds26
Heavy Atoms310
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004289.82
LogP ≤ 537.38
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1056

Analyze 4-benzylmorpholine;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;2,4-dimethylpyrimidine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;N-methylmethanamine;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;bis(4-methylpyridin-2-amine);4-methylpyridine;4-methylpyridine-2-carbonitrile;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-benzylmorpholine;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;2,4-dimethylpyrimidine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;N-methylmethanamine;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;bis(4-methylpyridin-2-amine);4-methylpyridine;4-methylpyridine-2-carbonitrile;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyrimidin-5-amine?
The IUPAC name of 4-benzylmorpholine;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;2,4-dimethylpyrimidine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;N-methylmethanamine;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;bis(4-methylpyridin-2-amine);4-methylpyridine;4-methylpyridine-2-carbonitrile;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyrimidin-5-amine (CID 157297381) is 4-benzylmorpholine;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;2,4-dimethylpyrimidine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;N-methylmethanamine;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;bis(4-methylpyridin-2-amine);4-methylpyridine;4-methylpyridine-2-carbonitrile;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyrimidin-5-amine.
What is the SMILES notation for 4-benzylmorpholine;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;2,4-dimethylpyrimidine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;N-methylmethanamine;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;bis(4-methylpyridin-2-amine);4-methylpyridine;4-methylpyridine-2-carbonitrile;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyrimidin-5-amine?
The canonical SMILES for 4-benzylmorpholine;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;2,4-dimethylpyrimidine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;N-methylmethanamine;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;bis(4-methylpyridin-2-amine);4-methylpyridine;4-methylpyridine-2-carbonitrile;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyrimidin-5-amine is CNC.Cc1cc(CN)ncn1.Cc1cc(N)ncn1.Cc1cc[nH]c(=O)c1.Cc1ccc(F)cc1S(C)(=O)=O.Cc1cccc(C(N)=O)c1.Cc1cccc(CN(C)C)c1.Cc1cccc(CN)c1.Cc1ccccc1C#N.Cc1ccccc1C(=O)N(C)C.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1CN(C)C.Cc1ccccc1CN1CCCC1.Cc1ccccc1CN1CCCCC1.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(C#N)c1.Cc1ccnc(C(N)=O)c1.Cc1ccnc(C)n1.Cc1ccnc(CN)c1.Cc1ccnc(CN)n1.Cc1ccnc(N)c1.Cc1ccnc(N)c1.Cc1ccnc(N)n1.Cc1ccncc1.Cc1ccncc1S(C)(=O)=O.Cc1ncncc1N.Cc1ncncc1N(C)C.[H]/N=C(/c1ccccc1C)N(C)C.[H]/N=C(\N)c1ccccc1C.c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-benzylmorpholine;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;2,4-dimethylpyrimidine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;N-methylmethanamine;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;bis(4-methylpyridin-2-amine);4-methylpyridine;4-methylpyridine-2-carbonitrile;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyrimidin-5-amine?
The InChIKey is BBMPDUMTYZSHDQ-WYIQPMRMSA-N. The full InChI is InChI=1S/C13H19N.C12H17N.C11H15NO.C10H14N2.C10H13NO.2C10H15N.C8H9FO2S.C8H10N2.2C8H9NO.2C8H11N.C8H7N.C8H10O2S.C7H11N3.C7H8N2O.C7H10N2.C7H6N2.2C7H9NO2S.2C6H9N3.3C6H8N2.C6H7NO.C6H7N.3C5H7N3.C2H7N/c1-12-7-3-4-8-13(12)11-14-9-5-2-6-10-14;1-11-6-2-3-7-12(11)10-13-8-4-5-9-13;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;1-8-6-4-5-7-9(8)10(11)12(2)3;1-8-6-4-5-7-9(8)10(12)11(2)3;1-9-5-4-6-10(7-9)8-11(2)3;1-9-6-4-5-7-10(9)8-11(2)3;1-6-3-4-7(9)5-8(6)12(2,10)11;1-6-4-2-3-5-7(6)8(9)10;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-3-2-4-8(5-7)6-9;2*1-7-4-2-3-5-8(7)6-9;1-7-5-3-4-6-8(7)11(2,9)10;1-6-7(10(2)3)4-8-5-9-6;1-5-2-3-9-6(4-5)7(8)10;2*1-6-2-3-9-7(4-6)5-8;1-6-3-4-8-5-7(6)11(2,9)10;1-6-4-2-3-5-7(6)11(8,9)10;1-5-2-6(3-7)9-4-8-5;1-5-2-3-8-6(4-7)9-5;1-5-3-4-7-6(2)8-5;2*1-5-2-3-8-6(7)4-5;1-5-2-3-7-6(8)4-5;1-6-2-4-7-5-3-6;1-4-5(6)2-7-3-8-4;1-4-2-5(6)8-3-7-4;1-4-2-3-7-5(6)8-4;1-3-2/h3-4,7-8H,2,5-6,9-11H2,1H3;2-3,6-7H,4-5,8-10H2,1H3;1-5H,6-10H2;4-7,11H,1-3H3;4-7H,1-3H3;2*4-7H,8H2,1-3H3;3-5H,1-2H3;2-5H,1H3,(H3,9,10);2*2-5H,1H3,(H2,9,10);2*2-5H,6,9H2,1H3;2-5H,1H3;3-6H,1-2H3;4-5H,1-3H3;2-4H,1H3,(H2,8,10);2-4H,5,8H2,1H3;2-4H,1H3;3-5H,1-2H3;2-5H,1H3,(H2,8,9,10);2,4H,3,7H2,1H3;2-3H,4,7H2,1H3;3-4H,1-2H3;2*2-4H,1H3,(H2,7,8);2-4H,1H3,(H,7,8);2-5H,1H3;2-3H,6H2,1H3;2*2-3H,1H3,(H2,6,7,8);3H,1-2H3/b;;;11-10-;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 4-benzylmorpholine;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;2,4-dimethylpyrimidine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;N-methylmethanamine;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;bis(4-methylpyridin-2-amine);4-methylpyridine;4-methylpyridine-2-carbonitrile;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyrimidin-5-amine?
4-benzylmorpholine;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;2,4-dimethylpyrimidine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;N-methylmethanamine;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;bis(4-methylpyridin-2-amine);4-methylpyridine;4-methylpyridine-2-carbonitrile;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyrimidin-5-amine has a molecular weight of 4289.82 g/mol, XLogP of 37.38, 26 rotatable bonds, 19 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylmorpholine;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;2,4-dimethylpyrimidine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;N-methylmethanamine;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;bis(4-methylpyridin-2-amine);4-methylpyridine;4-methylpyridine-2-carbonitrile;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyrimidin-5-amine is sourced from PubChem (CID 157297381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).