bis(N-benzylpropan-2-amine);N-[(4-tert-butylphenyl)methyl]propan-2-amine;N-[(2-fluoro-4-methylphenyl)methyl]propan-2-amine;N-[(2-fluorophenyl)methyl]propan-2-amine;N-[(3-fluorophenyl)methyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;N-[(1-methylimidazol-2-yl)methyl]propan-2-amine;N-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine;bis(N-[(4-methylphenyl)methyl]propan-2-amine);N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine;N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine;N-propan-2-ylquinazolin-6-amine;N-[(3-pyrazin-2-yloxyphenyl)methyl]propan-2-amine;N-[(6-pyrazol-1-ylpyrazin-2-yl)methyl]propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-[(3-pyridin-3-ylphenyl)methyl]propan-2-amine;N-[(1-pyrimidin-5-yltriazol-4-yl)methyl]propan-2-amine;N-(quinoxalin-6-ylmethyl)propan-2-amine

C241H354F4N44O — CID 167542992

IUPACbis(N-benzylpropan-2-amine);N-[(4-tert-butylphenyl)methyl]propan-2-amine;N-[(2-fluoro-4-methylphenyl)methyl]propan-2-amine;N-[(2-fluorophenyl)methyl]propan-2-amine;N-[(3-fluorophenyl)methyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;N-[(1-methylimidazol-2-yl)methyl]propan-2-amine;N-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine;bis(N-[(4-methylphenyl)methyl]propan-2-amine);N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine;N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine;N-propan-2-ylquinazolin-6-amine;N-[(3-pyrazin-2-yloxyphenyl)methyl]propan-2-amine;N-[(6-pyrazol-1-ylpyrazin-2-yl)methyl]propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-[(3-pyridin-3-ylphenyl)methyl]propan-2-amine;N-[(1-pyrimidin-5-yltriazol-4-yl)methyl]propan-2-amine;N-(quinoxalin-6-ylmethyl)propan-2-amine
SMILESCC(C)NCc1ccc(C(C)(C)C)cc1.CC(C)NCc1ccc(F)cc1.CC(C)NCc1ccc2nccnc2c1.CC(C)NCc1cccc(-c2cccnc2)c1.CC(C)NCc1cccc(F)c1.CC(C)NCc1cccc(Oc2cnccn2)c1.CC(C)NCc1ccccc1.CC(C)NCc1ccccc1.CC(C)NCc1ccccc1F.CC(C)NCc1ccccn1.CC(C)NCc1ccn(C)n1.CC(C)NCc1cn(-c2cncnc2)nn1.CC(C)NCc1cncc(-n2cccn2)n1.CC(C)NCc1nccn1C.CC(C)Nc1ccc2ncncc2c1.Cc1ccc(CN(C)C(C)C)cc1.Cc1ccc(CNC(C)C)c(F)c1.Cc1ccc(CNC(C)C)cc1.Cc1ccc(CNC(C)C)cc1.Cc1ccc(CNC(C)C)nc1.Cc1ccc([C@@H](C)NC(C)C)cc1.Cc1ccc([C@H](C)NC(C)C)cc1
InChIInChI=1S/C15H18N2.C14H17N3O.C14H23N.C12H15N3.3C12H19N.C11H16FN.C11H15N5.C11H13N3.2C11H17N.3C10H14FN.C10H14N6.C10H16N2.2C10H15N.C9H14N2.2C8H15N3/c1-12(2)17-10-13-5-3-6-14(9-13)15-7-4-8-16-11-15;1-11(2)17-9-12-4-3-5-13(8-12)18-14-10-15-6-7-16-14;1-11(2)15-10-12-6-8-13(9-7-12)14(3,4)5;1-9(2)15-8-10-3-4-11-12(7-10)14-6-5-13-11;1-10(2)13(4)9-12-7-5-11(3)6-8-12;2*1-9(2)13-11(4)12-7-5-10(3)6-8-12;1-8(2)13-7-10-5-4-9(3)6-11(10)12;1-9(2)13-7-10-6-12-8-11(15-10)16-5-3-4-14-16;1-8(2)14-10-3-4-11-9(5-10)6-12-7-13-11;2*1-9(2)12-8-11-6-4-10(3)5-7-11;1-8(2)12-7-9-3-5-10(11)6-4-9;1-8(2)12-7-9-4-3-5-10(11)6-9;1-8(2)12-7-9-5-3-4-6-10(9)11;1-8(2)13-3-9-6-16(15-14-9)10-4-11-7-12-5-10;1-8(2)11-7-10-5-4-9(3)6-12-10;2*1-9(2)11-8-10-6-4-3-5-7-10;1-8(2)11-7-9-5-3-4-6-10-9;1-7(2)10-6-8-9-4-5-11(8)3;1-7(2)9-6-8-4-5-11(3)10-8/h3-9,11-12,17H,10H2,1-2H3;3-8,10-11,17H,9H2,1-2H3;6-9,11,15H,10H2,1-5H3;3-7,9,15H,8H2,1-2H3;5-8,10H,9H2,1-4H3;2*5-9,11,13H,1-4H3;4-6,8,13H,7H2,1-3H3;3-6,8-9,13H,7H2,1-2H3;3-8,14H,1-2H3;2*4-7,9,12H,8H2,1-3H3;3*3-6,8,12H,7H2,1-2H3;4-8,13H,3H2,1-2H3;4-6,8,11H,7H2,1-3H3;2*3-7,9,11H,8H2,1-2H3;3-6,8,11H,7H2,1-2H3;4-5,7,10H,6H2,1-3H3;4-5,7,9H,6H2,1-3H3/t;;;;;2*11-;;;;;;;;;;;;;;;/m.....10.............../s1
InChIKeyBKYTUDGTOHHTRM-VRYOLKCBSA-N
MW3959.78 g/mol
LogP48.99
Rot. Bonds70

About bis(N-benzylpropan-2-amine);N-[(4-tert-butylphenyl)methyl]propan-2-amine;N-[(2-fluoro-4-methylphenyl)methyl]propan-2-amine;N-[(2-fluorophenyl)methyl]propan-2-amine;N-[(3-fluorophenyl)methyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;N-[(1-methylimidazol-2-yl)methyl]propan-2-amine;N-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine;bis(N-[(4-methylphenyl)methyl]propan-2-amine);N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine;N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine;N-propan-2-ylquinazolin-6-amine;N-[(3-pyrazin-2-yloxyphenyl)methyl]propan-2-amine;N-[(6-pyrazol-1-ylpyrazin-2-yl)methyl]propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-[(3-pyridin-3-ylphenyl)methyl]propan-2-amine;N-[(1-pyrimidin-5-yltriazol-4-yl)methyl]propan-2-amine;N-(quinoxalin-6-ylmethyl)propan-2-amine

bis(N-benzylpropan-2-amine);N-[(4-tert-butylphenyl)methyl]propan-2-amine;N-[(2-fluoro-4-methylphenyl)methyl]propan-2-amine;N-[(2-fluorophenyl)methyl]propan-2-amine;N-[(3-fluorophenyl)methyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;N-[(1-methylimidazol-2-yl)methyl]propan-2-amine;N-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine;bis(N-[(4-methylphenyl)methyl]propan-2-amine);N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine;N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine;N-propan-2-ylquinazolin-6-amine;N-[(3-pyrazin-2-yloxyphenyl)methyl]propan-2-amine;N-[(6-pyrazol-1-ylpyrazin-2-yl)methyl]propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-[(3-pyridin-3-ylphenyl)methyl]propan-2-amine;N-[(1-pyrimidin-5-yltriazol-4-yl)methyl]propan-2-amine;N-(quinoxalin-6-ylmethyl)propan-2-amine (PubChem CID 167542992) has the molecular formula C241H354F4N44O and a molecular weight of 3959.78 g/mol. Its IUPAC name is bis(N-benzylpropan-2-amine);N-[(4-tert-butylphenyl)methyl]propan-2-amine;N-[(2-fluoro-4-methylphenyl)methyl]propan-2-amine;N-[(2-fluorophenyl)methyl]propan-2-amine;N-[(3-fluorophenyl)methyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;N-[(1-methylimidazol-2-yl)methyl]propan-2-amine;N-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine;bis(N-[(4-methylphenyl)methyl]propan-2-amine);N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine;N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine;N-propan-2-ylquinazolin-6-amine;N-[(3-pyrazin-2-yloxyphenyl)methyl]propan-2-amine;N-[(6-pyrazol-1-ylpyrazin-2-yl)methyl]propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-[(3-pyridin-3-ylphenyl)methyl]propan-2-amine;N-[(1-pyrimidin-5-yltriazol-4-yl)methyl]propan-2-amine;N-(quinoxalin-6-ylmethyl)propan-2-amine.

Molecular Properties

Compound Namebis(N-benzylpropan-2-amine);N-[(4-tert-butylphenyl)methyl]propan-2-amine;N-[(2-fluoro-4-methylphenyl)methyl]propan-2-amine;N-[(2-fluorophenyl)methyl]propan-2-amine;N-[(3-fluorophenyl)methyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;N-[(1-methylimidazol-2-yl)methyl]propan-2-amine;N-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine;bis(N-[(4-methylphenyl)methyl]propan-2-amine);N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine;N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine;N-propan-2-ylquinazolin-6-amine;N-[(3-pyrazin-2-yloxyphenyl)methyl]propan-2-amine;N-[(6-pyrazol-1-ylpyrazin-2-yl)methyl]propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-[(3-pyridin-3-ylphenyl)methyl]propan-2-amine;N-[(1-pyrimidin-5-yltriazol-4-yl)methyl]propan-2-amine;N-(quinoxalin-6-ylmethyl)propan-2-amine
PubChem CID167542992
Molecular FormulaC241H354F4N44O
Molecular Weight3959.78 g/mol
Exact Mass3956.89
IUPAC Namebis(N-benzylpropan-2-amine);N-[(4-tert-butylphenyl)methyl]propan-2-amine;N-[(2-fluoro-4-methylphenyl)methyl]propan-2-amine;N-[(2-fluorophenyl)methyl]propan-2-amine;N-[(3-fluorophenyl)methyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;N-[(1-methylimidazol-2-yl)methyl]propan-2-amine;N-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine;bis(N-[(4-methylphenyl)methyl]propan-2-amine);N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine;N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine;N-propan-2-ylquinazolin-6-amine;N-[(3-pyrazin-2-yloxyphenyl)methyl]propan-2-amine;N-[(6-pyrazol-1-ylpyrazin-2-yl)methyl]propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-[(3-pyridin-3-ylphenyl)methyl]propan-2-amine;N-[(1-pyrimidin-5-yltriazol-4-yl)methyl]propan-2-amine;N-(quinoxalin-6-ylmethyl)propan-2-amine
SMILESCC(C)NCc1ccc(C(C)(C)C)cc1.CC(C)NCc1ccc(F)cc1.CC(C)NCc1ccc2nccnc2c1.CC(C)NCc1cccc(-c2cccnc2)c1.CC(C)NCc1cccc(F)c1.CC(C)NCc1cccc(Oc2cnccn2)c1.CC(C)NCc1ccccc1.CC(C)NCc1ccccc1.CC(C)NCc1ccccc1F.CC(C)NCc1ccccn1.CC(C)NCc1ccn(C)n1.CC(C)NCc1cn(-c2cncnc2)nn1.CC(C)NCc1cncc(-n2cccn2)n1.CC(C)NCc1nccn1C.CC(C)Nc1ccc2ncncc2c1.Cc1ccc(CN(C)C(C)C)cc1.Cc1ccc(CNC(C)C)c(F)c1.Cc1ccc(CNC(C)C)cc1.Cc1ccc(CNC(C)C)cc1.Cc1ccc(CNC(C)C)nc1.Cc1ccc([C@@H](C)NC(C)C)cc1.Cc1ccc([C@H](C)NC(C)C)cc1
InChIInChI=1S/C15H18N2.C14H17N3O.C14H23N.C12H15N3.3C12H19N.C11H16FN.C11H15N5.C11H13N3.2C11H17N.3C10H14FN.C10H14N6.C10H16N2.2C10H15N.C9H14N2.2C8H15N3/c1-12(2)17-10-13-5-3-6-14(9-13)15-7-4-8-16-11-15;1-11(2)17-9-12-4-3-5-13(8-12)18-14-10-15-6-7-16-14;1-11(2)15-10-12-6-8-13(9-7-12)14(3,4)5;1-9(2)15-8-10-3-4-11-12(7-10)14-6-5-13-11;1-10(2)13(4)9-12-7-5-11(3)6-8-12;2*1-9(2)13-11(4)12-7-5-10(3)6-8-12;1-8(2)13-7-10-5-4-9(3)6-11(10)12;1-9(2)13-7-10-6-12-8-11(15-10)16-5-3-4-14-16;1-8(2)14-10-3-4-11-9(5-10)6-12-7-13-11;2*1-9(2)12-8-11-6-4-10(3)5-7-11;1-8(2)12-7-9-3-5-10(11)6-4-9;1-8(2)12-7-9-4-3-5-10(11)6-9;1-8(2)12-7-9-5-3-4-6-10(9)11;1-8(2)13-3-9-6-16(15-14-9)10-4-11-7-12-5-10;1-8(2)11-7-10-5-4-9(3)6-12-10;2*1-9(2)11-8-10-6-4-3-5-7-10;1-8(2)11-7-9-5-3-4-6-10-9;1-7(2)10-6-8-9-4-5-11(8)3;1-7(2)9-6-8-4-5-11(3)10-8/h3-9,11-12,17H,10H2,1-2H3;3-8,10-11,17H,9H2,1-2H3;6-9,11,15H,10H2,1-5H3;3-7,9,15H,8H2,1-2H3;5-8,10H,9H2,1-4H3;2*5-9,11,13H,1-4H3;4-6,8,13H,7H2,1-3H3;3-6,8-9,13H,7H2,1-2H3;3-8,14H,1-2H3;2*4-7,9,12H,8H2,1-3H3;3*3-6,8,12H,7H2,1-2H3;4-8,13H,3H2,1-2H3;4-6,8,11H,7H2,1-3H3;2*3-7,9,11H,8H2,1-2H3;3-6,8,11H,7H2,1-2H3;4-5,7,10H,6H2,1-3H3;4-5,7,9H,6H2,1-3H3/t;;;;;2*11-;;;;;;;;;;;;;;;/m.....10.............../s1
InChIKeyBKYTUDGTOHHTRM-VRYOLKCBSA-N
XLogP48.99
TPSA516.84 Ų
H-Bond Donors21
H-Bond Acceptors45
Rotatable Bonds70
Heavy Atoms290
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003959.78
LogP ≤ 548.99
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1045

Analyze bis(N-benzylpropan-2-amine);N-[(4-tert-butylphenyl)methyl]propan-2-amine;N-[(2-fluoro-4-methylphenyl)methyl]propan-2-amine;N-[(2-fluorophenyl)methyl]propan-2-amine;N-[(3-fluorophenyl)methyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;N-[(1-methylimidazol-2-yl)methyl]propan-2-amine;N-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine;bis(N-[(4-methylphenyl)methyl]propan-2-amine);N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine;N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine;N-propan-2-ylquinazolin-6-amine;N-[(3-pyrazin-2-yloxyphenyl)methyl]propan-2-amine;N-[(6-pyrazol-1-ylpyrazin-2-yl)methyl]propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-[(3-pyridin-3-ylphenyl)methyl]propan-2-amine;N-[(1-pyrimidin-5-yltriazol-4-yl)methyl]propan-2-amine;N-(quinoxalin-6-ylmethyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(N-benzylpropan-2-amine);N-[(4-tert-butylphenyl)methyl]propan-2-amine;N-[(2-fluoro-4-methylphenyl)methyl]propan-2-amine;N-[(2-fluorophenyl)methyl]propan-2-amine;N-[(3-fluorophenyl)methyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;N-[(1-methylimidazol-2-yl)methyl]propan-2-amine;N-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine;bis(N-[(4-methylphenyl)methyl]propan-2-amine);N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine;N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine;N-propan-2-ylquinazolin-6-amine;N-[(3-pyrazin-2-yloxyphenyl)methyl]propan-2-amine;N-[(6-pyrazol-1-ylpyrazin-2-yl)methyl]propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-[(3-pyridin-3-ylphenyl)methyl]propan-2-amine;N-[(1-pyrimidin-5-yltriazol-4-yl)methyl]propan-2-amine;N-(quinoxalin-6-ylmethyl)propan-2-amine?
The IUPAC name of bis(N-benzylpropan-2-amine);N-[(4-tert-butylphenyl)methyl]propan-2-amine;N-[(2-fluoro-4-methylphenyl)methyl]propan-2-amine;N-[(2-fluorophenyl)methyl]propan-2-amine;N-[(3-fluorophenyl)methyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;N-[(1-methylimidazol-2-yl)methyl]propan-2-amine;N-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine;bis(N-[(4-methylphenyl)methyl]propan-2-amine);N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine;N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine;N-propan-2-ylquinazolin-6-amine;N-[(3-pyrazin-2-yloxyphenyl)methyl]propan-2-amine;N-[(6-pyrazol-1-ylpyrazin-2-yl)methyl]propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-[(3-pyridin-3-ylphenyl)methyl]propan-2-amine;N-[(1-pyrimidin-5-yltriazol-4-yl)methyl]propan-2-amine;N-(quinoxalin-6-ylmethyl)propan-2-amine (CID 167542992) is bis(N-benzylpropan-2-amine);N-[(4-tert-butylphenyl)methyl]propan-2-amine;N-[(2-fluoro-4-methylphenyl)methyl]propan-2-amine;N-[(2-fluorophenyl)methyl]propan-2-amine;N-[(3-fluorophenyl)methyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;N-[(1-methylimidazol-2-yl)methyl]propan-2-amine;N-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine;bis(N-[(4-methylphenyl)methyl]propan-2-amine);N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine;N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine;N-propan-2-ylquinazolin-6-amine;N-[(3-pyrazin-2-yloxyphenyl)methyl]propan-2-amine;N-[(6-pyrazol-1-ylpyrazin-2-yl)methyl]propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-[(3-pyridin-3-ylphenyl)methyl]propan-2-amine;N-[(1-pyrimidin-5-yltriazol-4-yl)methyl]propan-2-amine;N-(quinoxalin-6-ylmethyl)propan-2-amine.
What is the SMILES notation for bis(N-benzylpropan-2-amine);N-[(4-tert-butylphenyl)methyl]propan-2-amine;N-[(2-fluoro-4-methylphenyl)methyl]propan-2-amine;N-[(2-fluorophenyl)methyl]propan-2-amine;N-[(3-fluorophenyl)methyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;N-[(1-methylimidazol-2-yl)methyl]propan-2-amine;N-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine;bis(N-[(4-methylphenyl)methyl]propan-2-amine);N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine;N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine;N-propan-2-ylquinazolin-6-amine;N-[(3-pyrazin-2-yloxyphenyl)methyl]propan-2-amine;N-[(6-pyrazol-1-ylpyrazin-2-yl)methyl]propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-[(3-pyridin-3-ylphenyl)methyl]propan-2-amine;N-[(1-pyrimidin-5-yltriazol-4-yl)methyl]propan-2-amine;N-(quinoxalin-6-ylmethyl)propan-2-amine?
The canonical SMILES for bis(N-benzylpropan-2-amine);N-[(4-tert-butylphenyl)methyl]propan-2-amine;N-[(2-fluoro-4-methylphenyl)methyl]propan-2-amine;N-[(2-fluorophenyl)methyl]propan-2-amine;N-[(3-fluorophenyl)methyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;N-[(1-methylimidazol-2-yl)methyl]propan-2-amine;N-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine;bis(N-[(4-methylphenyl)methyl]propan-2-amine);N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine;N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine;N-propan-2-ylquinazolin-6-amine;N-[(3-pyrazin-2-yloxyphenyl)methyl]propan-2-amine;N-[(6-pyrazol-1-ylpyrazin-2-yl)methyl]propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-[(3-pyridin-3-ylphenyl)methyl]propan-2-amine;N-[(1-pyrimidin-5-yltriazol-4-yl)methyl]propan-2-amine;N-(quinoxalin-6-ylmethyl)propan-2-amine is CC(C)NCc1ccc(C(C)(C)C)cc1.CC(C)NCc1ccc(F)cc1.CC(C)NCc1ccc2nccnc2c1.CC(C)NCc1cccc(-c2cccnc2)c1.CC(C)NCc1cccc(F)c1.CC(C)NCc1cccc(Oc2cnccn2)c1.CC(C)NCc1ccccc1.CC(C)NCc1ccccc1.CC(C)NCc1ccccc1F.CC(C)NCc1ccccn1.CC(C)NCc1ccn(C)n1.CC(C)NCc1cn(-c2cncnc2)nn1.CC(C)NCc1cncc(-n2cccn2)n1.CC(C)NCc1nccn1C.CC(C)Nc1ccc2ncncc2c1.Cc1ccc(CN(C)C(C)C)cc1.Cc1ccc(CNC(C)C)c(F)c1.Cc1ccc(CNC(C)C)cc1.Cc1ccc(CNC(C)C)cc1.Cc1ccc(CNC(C)C)nc1.Cc1ccc([C@@H](C)NC(C)C)cc1.Cc1ccc([C@H](C)NC(C)C)cc1.
What is the InChIKey of bis(N-benzylpropan-2-amine);N-[(4-tert-butylphenyl)methyl]propan-2-amine;N-[(2-fluoro-4-methylphenyl)methyl]propan-2-amine;N-[(2-fluorophenyl)methyl]propan-2-amine;N-[(3-fluorophenyl)methyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;N-[(1-methylimidazol-2-yl)methyl]propan-2-amine;N-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine;bis(N-[(4-methylphenyl)methyl]propan-2-amine);N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine;N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine;N-propan-2-ylquinazolin-6-amine;N-[(3-pyrazin-2-yloxyphenyl)methyl]propan-2-amine;N-[(6-pyrazol-1-ylpyrazin-2-yl)methyl]propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-[(3-pyridin-3-ylphenyl)methyl]propan-2-amine;N-[(1-pyrimidin-5-yltriazol-4-yl)methyl]propan-2-amine;N-(quinoxalin-6-ylmethyl)propan-2-amine?
The InChIKey is BKYTUDGTOHHTRM-VRYOLKCBSA-N. The full InChI is InChI=1S/C15H18N2.C14H17N3O.C14H23N.C12H15N3.3C12H19N.C11H16FN.C11H15N5.C11H13N3.2C11H17N.3C10H14FN.C10H14N6.C10H16N2.2C10H15N.C9H14N2.2C8H15N3/c1-12(2)17-10-13-5-3-6-14(9-13)15-7-4-8-16-11-15;1-11(2)17-9-12-4-3-5-13(8-12)18-14-10-15-6-7-16-14;1-11(2)15-10-12-6-8-13(9-7-12)14(3,4)5;1-9(2)15-8-10-3-4-11-12(7-10)14-6-5-13-11;1-10(2)13(4)9-12-7-5-11(3)6-8-12;2*1-9(2)13-11(4)12-7-5-10(3)6-8-12;1-8(2)13-7-10-5-4-9(3)6-11(10)12;1-9(2)13-7-10-6-12-8-11(15-10)16-5-3-4-14-16;1-8(2)14-10-3-4-11-9(5-10)6-12-7-13-11;2*1-9(2)12-8-11-6-4-10(3)5-7-11;1-8(2)12-7-9-3-5-10(11)6-4-9;1-8(2)12-7-9-4-3-5-10(11)6-9;1-8(2)12-7-9-5-3-4-6-10(9)11;1-8(2)13-3-9-6-16(15-14-9)10-4-11-7-12-5-10;1-8(2)11-7-10-5-4-9(3)6-12-10;2*1-9(2)11-8-10-6-4-3-5-7-10;1-8(2)11-7-9-5-3-4-6-10-9;1-7(2)10-6-8-9-4-5-11(8)3;1-7(2)9-6-8-4-5-11(3)10-8/h3-9,11-12,17H,10H2,1-2H3;3-8,10-11,17H,9H2,1-2H3;6-9,11,15H,10H2,1-5H3;3-7,9,15H,8H2,1-2H3;5-8,10H,9H2,1-4H3;2*5-9,11,13H,1-4H3;4-6,8,13H,7H2,1-3H3;3-6,8-9,13H,7H2,1-2H3;3-8,14H,1-2H3;2*4-7,9,12H,8H2,1-3H3;3*3-6,8,12H,7H2,1-2H3;4-8,13H,3H2,1-2H3;4-6,8,11H,7H2,1-3H3;2*3-7,9,11H,8H2,1-2H3;3-6,8,11H,7H2,1-2H3;4-5,7,10H,6H2,1-3H3;4-5,7,9H,6H2,1-3H3/t;;;;;2*11-;;;;;;;;;;;;;;;/m.....10.............../s1.
What are the key properties of bis(N-benzylpropan-2-amine);N-[(4-tert-butylphenyl)methyl]propan-2-amine;N-[(2-fluoro-4-methylphenyl)methyl]propan-2-amine;N-[(2-fluorophenyl)methyl]propan-2-amine;N-[(3-fluorophenyl)methyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;N-[(1-methylimidazol-2-yl)methyl]propan-2-amine;N-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine;bis(N-[(4-methylphenyl)methyl]propan-2-amine);N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine;N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine;N-propan-2-ylquinazolin-6-amine;N-[(3-pyrazin-2-yloxyphenyl)methyl]propan-2-amine;N-[(6-pyrazol-1-ylpyrazin-2-yl)methyl]propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-[(3-pyridin-3-ylphenyl)methyl]propan-2-amine;N-[(1-pyrimidin-5-yltriazol-4-yl)methyl]propan-2-amine;N-(quinoxalin-6-ylmethyl)propan-2-amine?
bis(N-benzylpropan-2-amine);N-[(4-tert-butylphenyl)methyl]propan-2-amine;N-[(2-fluoro-4-methylphenyl)methyl]propan-2-amine;N-[(2-fluorophenyl)methyl]propan-2-amine;N-[(3-fluorophenyl)methyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;N-[(1-methylimidazol-2-yl)methyl]propan-2-amine;N-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine;bis(N-[(4-methylphenyl)methyl]propan-2-amine);N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine;N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine;N-propan-2-ylquinazolin-6-amine;N-[(3-pyrazin-2-yloxyphenyl)methyl]propan-2-amine;N-[(6-pyrazol-1-ylpyrazin-2-yl)methyl]propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-[(3-pyridin-3-ylphenyl)methyl]propan-2-amine;N-[(1-pyrimidin-5-yltriazol-4-yl)methyl]propan-2-amine;N-(quinoxalin-6-ylmethyl)propan-2-amine has a molecular weight of 3959.78 g/mol, XLogP of 48.99, 70 rotatable bonds, 21 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-benzylpropan-2-amine);N-[(4-tert-butylphenyl)methyl]propan-2-amine;N-[(2-fluoro-4-methylphenyl)methyl]propan-2-amine;N-[(2-fluorophenyl)methyl]propan-2-amine;N-[(3-fluorophenyl)methyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;N-[(1-methylimidazol-2-yl)methyl]propan-2-amine;N-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;N-[(1R)-1-(4-methylphenyl)ethyl]propan-2-amine;N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine;bis(N-[(4-methylphenyl)methyl]propan-2-amine);N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine;N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine;N-propan-2-ylquinazolin-6-amine;N-[(3-pyrazin-2-yloxyphenyl)methyl]propan-2-amine;N-[(6-pyrazol-1-ylpyrazin-2-yl)methyl]propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-[(3-pyridin-3-ylphenyl)methyl]propan-2-amine;N-[(1-pyrimidin-5-yltriazol-4-yl)methyl]propan-2-amine;N-(quinoxalin-6-ylmethyl)propan-2-amine is sourced from PubChem (CID 167542992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).