4-benzylmorpholine;2,4-dimethylpyridine;3,4-dimethylpyridine;2,4-dimethylpyrimidine;1-ethyl-2-methylbenzene;4-fluoro-1,2-dimethylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;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;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;bis(1,2-xylene);1,3-xylene

C222H283FN38O7S — CID 161199801

IUPAC4-benzylmorpholine;2,4-dimethylpyridine;3,4-dimethylpyridine;2,4-dimethylpyrimidine;1-ethyl-2-methylbenzene;4-fluoro-1,2-dimethylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;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;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;bis(1,2-xylene);1,3-xylene
SMILESCCc1ccccc1C.Cc1cc(CN)ncn1.Cc1cc(N)ncn1.Cc1cc[nH]c(=O)c1.Cc1ccc(F)cc1C.Cc1cccc(C(N)=O)c1.Cc1cccc(C)c1.Cc1cccc(CN)c1.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C#N.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1CN1CCCC1.Cc1ccccc1CN1CCCCC1.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(C#N)c1.Cc1ccnc(C(N)=O)c1.Cc1ccnc(C)c1.Cc1ccnc(C)n1.Cc1ccnc(CN)c1.Cc1ccnc(CN)n1.Cc1ccnc(N)c1.Cc1ccnc(N)n1.Cc1ccncc1.Cc1ccncc1C.[H]/N=C(\C)c1ccccc1C.[H]/N=C(\N)c1ccccc1C.c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C13H19N.C12H17N.C11H15NO.C9H11N.C9H12.C8H9F.C8H10N2.2C8H9NO.2C8H11N.C8H7N.3C8H10.C7H8N2O.C7H10N2.C7H6N2.C7H9NO2S.2C7H9N.2C6H9N3.2C6H8N2.C6H7NO.C6H7N.2C5H7N3/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;1-7-5-3-4-6-9(7)8(2)10;1-3-9-7-5-4-6-8(9)2;1-6-3-4-8(9)5-7(6)2;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;1-7-4-3-5-8(2)6-7;2*1-7-5-3-4-6-8(7)2;1-5-2-3-9-6(4-5)7(8)10;2*1-6-2-3-9-7(4-6)5-8;1-6-4-2-3-5-7(6)11(8,9)10;1-6-3-4-8-5-7(6)2;1-6-3-4-8-7(2)5-6;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;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;1-4-2-5(6)8-3-7-4;1-4-2-3-7-5(6)8-4/h3-4,7-8H,2,5-6,9-11H2,1H3;2-3,6-7H,4-5,8-10H2,1H3;1-5H,6-10H2;3-6,10H,1-2H3;4-7H,3H2,1-2H3;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*3-6H,1-2H3;2-4H,1H3,(H2,8,10);2-4H,5,8H2,1H3;2-4H,1H3;2-5H,1H3,(H2,8,9,10);2*3-5H,1-2H3;2,4H,3,7H2,1H3;2-3H,4,7H2,1H3;3-4H,1-2H3;2-4H,1H3,(H2,7,8);2-4H,1H3,(H,7,8);2-5H,1H3;2*2-3H,1H3,(H2,6,7,8)/b;;;10-8+;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyUUVDBJKQIOTGMF-FHBHJCQDSA-N
MW3647.03 g/mol
LogP41.62
Rot. Bonds18

About 4-benzylmorpholine;2,4-dimethylpyridine;3,4-dimethylpyridine;2,4-dimethylpyrimidine;1-ethyl-2-methylbenzene;4-fluoro-1,2-dimethylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;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;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;bis(1,2-xylene);1,3-xylene

4-benzylmorpholine;2,4-dimethylpyridine;3,4-dimethylpyridine;2,4-dimethylpyrimidine;1-ethyl-2-methylbenzene;4-fluoro-1,2-dimethylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;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;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;bis(1,2-xylene);1,3-xylene (PubChem CID 161199801) has the molecular formula C222H283FN38O7S and a molecular weight of 3647.03 g/mol. Its IUPAC name is 4-benzylmorpholine;2,4-dimethylpyridine;3,4-dimethylpyridine;2,4-dimethylpyrimidine;1-ethyl-2-methylbenzene;4-fluoro-1,2-dimethylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;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;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;bis(1,2-xylene);1,3-xylene.

Molecular Properties

Compound Name4-benzylmorpholine;2,4-dimethylpyridine;3,4-dimethylpyridine;2,4-dimethylpyrimidine;1-ethyl-2-methylbenzene;4-fluoro-1,2-dimethylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;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;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;bis(1,2-xylene);1,3-xylene
PubChem CID161199801
Molecular FormulaC222H283FN38O7S
Molecular Weight3647.03 g/mol
Exact Mass3644.27
IUPAC Name4-benzylmorpholine;2,4-dimethylpyridine;3,4-dimethylpyridine;2,4-dimethylpyrimidine;1-ethyl-2-methylbenzene;4-fluoro-1,2-dimethylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;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;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;bis(1,2-xylene);1,3-xylene
SMILESCCc1ccccc1C.Cc1cc(CN)ncn1.Cc1cc(N)ncn1.Cc1cc[nH]c(=O)c1.Cc1ccc(F)cc1C.Cc1cccc(C(N)=O)c1.Cc1cccc(C)c1.Cc1cccc(CN)c1.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C#N.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1CN1CCCC1.Cc1ccccc1CN1CCCCC1.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(C#N)c1.Cc1ccnc(C(N)=O)c1.Cc1ccnc(C)c1.Cc1ccnc(C)n1.Cc1ccnc(CN)c1.Cc1ccnc(CN)n1.Cc1ccnc(N)c1.Cc1ccnc(N)n1.Cc1ccncc1.Cc1ccncc1C.[H]/N=C(\C)c1ccccc1C.[H]/N=C(\N)c1ccccc1C.c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C13H19N.C12H17N.C11H15NO.C9H11N.C9H12.C8H9F.C8H10N2.2C8H9NO.2C8H11N.C8H7N.3C8H10.C7H8N2O.C7H10N2.C7H6N2.C7H9NO2S.2C7H9N.2C6H9N3.2C6H8N2.C6H7NO.C6H7N.2C5H7N3/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;1-7-5-3-4-6-9(7)8(2)10;1-3-9-7-5-4-6-8(9)2;1-6-3-4-8(9)5-7(6)2;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;1-7-4-3-5-8(2)6-7;2*1-7-5-3-4-6-8(7)2;1-5-2-3-9-6(4-5)7(8)10;2*1-6-2-3-9-7(4-6)5-8;1-6-4-2-3-5-7(6)11(8,9)10;1-6-3-4-8-5-7(6)2;1-6-3-4-8-7(2)5-6;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;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;1-4-2-5(6)8-3-7-4;1-4-2-3-7-5(6)8-4/h3-4,7-8H,2,5-6,9-11H2,1H3;2-3,6-7H,4-5,8-10H2,1H3;1-5H,6-10H2;3-6,10H,1-2H3;4-7H,3H2,1-2H3;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*3-6H,1-2H3;2-4H,1H3,(H2,8,10);2-4H,5,8H2,1H3;2-4H,1H3;2-5H,1H3,(H2,8,9,10);2*3-5H,1-2H3;2,4H,3,7H2,1H3;2-3H,4,7H2,1H3;3-4H,1-2H3;2-4H,1H3,(H2,7,8);2-4H,1H3,(H,7,8);2-5H,1H3;2*2-3H,1H3,(H2,6,7,8)/b;;;10-8+;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyUUVDBJKQIOTGMF-FHBHJCQDSA-N
XLogP41.62
TPSA789.83 Ų
H-Bond Donors16
H-Bond Acceptors39
Rotatable Bonds18
Heavy Atoms269
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003647.03
LogP ≤ 541.62
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-benzylmorpholine;2,4-dimethylpyridine;3,4-dimethylpyridine;2,4-dimethylpyrimidine;1-ethyl-2-methylbenzene;4-fluoro-1,2-dimethylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;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;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;bis(1,2-xylene);1,3-xylene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-benzylmorpholine;2,4-dimethylpyridine;3,4-dimethylpyridine;2,4-dimethylpyrimidine;1-ethyl-2-methylbenzene;4-fluoro-1,2-dimethylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;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;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;bis(1,2-xylene);1,3-xylene?
The IUPAC name of 4-benzylmorpholine;2,4-dimethylpyridine;3,4-dimethylpyridine;2,4-dimethylpyrimidine;1-ethyl-2-methylbenzene;4-fluoro-1,2-dimethylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;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;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;bis(1,2-xylene);1,3-xylene (CID 161199801) is 4-benzylmorpholine;2,4-dimethylpyridine;3,4-dimethylpyridine;2,4-dimethylpyrimidine;1-ethyl-2-methylbenzene;4-fluoro-1,2-dimethylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;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;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;bis(1,2-xylene);1,3-xylene.
What is the SMILES notation for 4-benzylmorpholine;2,4-dimethylpyridine;3,4-dimethylpyridine;2,4-dimethylpyrimidine;1-ethyl-2-methylbenzene;4-fluoro-1,2-dimethylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;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;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;bis(1,2-xylene);1,3-xylene?
The canonical SMILES for 4-benzylmorpholine;2,4-dimethylpyridine;3,4-dimethylpyridine;2,4-dimethylpyrimidine;1-ethyl-2-methylbenzene;4-fluoro-1,2-dimethylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;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;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;bis(1,2-xylene);1,3-xylene is CCc1ccccc1C.Cc1cc(CN)ncn1.Cc1cc(N)ncn1.Cc1cc[nH]c(=O)c1.Cc1ccc(F)cc1C.Cc1cccc(C(N)=O)c1.Cc1cccc(C)c1.Cc1cccc(CN)c1.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C#N.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1CN1CCCC1.Cc1ccccc1CN1CCCCC1.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(C#N)c1.Cc1ccnc(C(N)=O)c1.Cc1ccnc(C)c1.Cc1ccnc(C)n1.Cc1ccnc(CN)c1.Cc1ccnc(CN)n1.Cc1ccnc(N)c1.Cc1ccnc(N)n1.Cc1ccncc1.Cc1ccncc1C.[H]/N=C(\C)c1ccccc1C.[H]/N=C(\N)c1ccccc1C.c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-benzylmorpholine;2,4-dimethylpyridine;3,4-dimethylpyridine;2,4-dimethylpyrimidine;1-ethyl-2-methylbenzene;4-fluoro-1,2-dimethylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;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;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;bis(1,2-xylene);1,3-xylene?
The InChIKey is UUVDBJKQIOTGMF-FHBHJCQDSA-N. The full InChI is InChI=1S/C13H19N.C12H17N.C11H15NO.C9H11N.C9H12.C8H9F.C8H10N2.2C8H9NO.2C8H11N.C8H7N.3C8H10.C7H8N2O.C7H10N2.C7H6N2.C7H9NO2S.2C7H9N.2C6H9N3.2C6H8N2.C6H7NO.C6H7N.2C5H7N3/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;1-7-5-3-4-6-9(7)8(2)10;1-3-9-7-5-4-6-8(9)2;1-6-3-4-8(9)5-7(6)2;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;1-7-4-3-5-8(2)6-7;2*1-7-5-3-4-6-8(7)2;1-5-2-3-9-6(4-5)7(8)10;2*1-6-2-3-9-7(4-6)5-8;1-6-4-2-3-5-7(6)11(8,9)10;1-6-3-4-8-5-7(6)2;1-6-3-4-8-7(2)5-6;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;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;1-4-2-5(6)8-3-7-4;1-4-2-3-7-5(6)8-4/h3-4,7-8H,2,5-6,9-11H2,1H3;2-3,6-7H,4-5,8-10H2,1H3;1-5H,6-10H2;3-6,10H,1-2H3;4-7H,3H2,1-2H3;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*3-6H,1-2H3;2-4H,1H3,(H2,8,10);2-4H,5,8H2,1H3;2-4H,1H3;2-5H,1H3,(H2,8,9,10);2*3-5H,1-2H3;2,4H,3,7H2,1H3;2-3H,4,7H2,1H3;3-4H,1-2H3;2-4H,1H3,(H2,7,8);2-4H,1H3,(H,7,8);2-5H,1H3;2*2-3H,1H3,(H2,6,7,8)/b;;;10-8+;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 4-benzylmorpholine;2,4-dimethylpyridine;3,4-dimethylpyridine;2,4-dimethylpyrimidine;1-ethyl-2-methylbenzene;4-fluoro-1,2-dimethylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;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;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;bis(1,2-xylene);1,3-xylene?
4-benzylmorpholine;2,4-dimethylpyridine;3,4-dimethylpyridine;2,4-dimethylpyrimidine;1-ethyl-2-methylbenzene;4-fluoro-1,2-dimethylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;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;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;bis(1,2-xylene);1,3-xylene has a molecular weight of 3647.03 g/mol, XLogP of 41.62, 18 rotatable bonds, 16 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylmorpholine;2,4-dimethylpyridine;3,4-dimethylpyridine;2,4-dimethylpyrimidine;1-ethyl-2-methylbenzene;4-fluoro-1,2-dimethylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;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;6-methylpyrimidin-4-amine;(4-methylpyrimidin-2-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;bis(1,2-xylene);1,3-xylene is sourced from PubChem (CID 161199801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).