(2S)-N-(3,3-diphenylpropyl)-N,3-dimethylbutan-2-amine

C21H29N — CID 54447002

IUPAC(2S)-N-(3,3-diphenylpropyl)-N,3-dimethylbutan-2-amine
SMILESCC(C)[C@H](C)N(C)CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29N/c1-17(2)18(3)22(4)16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18,21H,15-16H2,1-4H3/t18-/m0/s1
InChIKeyZRHCPWKAWKDTTM-SFHVURJKSA-N
MW295.47 g/mol
LogP5.18
Rot. Bonds7

About (2S)-N-(3,3-diphenylpropyl)-N,3-dimethylbutan-2-amine

(2S)-N-(3,3-diphenylpropyl)-N,3-dimethylbutan-2-amine (PubChem CID 54447002) has the molecular formula C21H29N and a molecular weight of 295.47 g/mol. Its IUPAC name is (2S)-N-(3,3-diphenylpropyl)-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name(2S)-N-(3,3-diphenylpropyl)-N,3-dimethylbutan-2-amine
PubChem CID54447002
Molecular FormulaC21H29N
Molecular Weight295.47 g/mol
Exact Mass295.23
IUPAC Name(2S)-N-(3,3-diphenylpropyl)-N,3-dimethylbutan-2-amine
SMILESCC(C)[C@H](C)N(C)CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29N/c1-17(2)18(3)22(4)16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18,21H,15-16H2,1-4H3/t18-/m0/s1
InChIKeyZRHCPWKAWKDTTM-SFHVURJKSA-N
XLogP5.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
1-(2-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-ol
CID 55098928
N,N'-dimethyl-N'-(3-methylbutan-2-yl)-1-(2-methylphenyl)propane-1,3-diamine
CID 62628726
1-(4-fluorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
CID 62644481
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-phenylpropane-1,3-diamine
CID 55090461
(1R,2R)-1-chloro-N-(2-chloroethyl)-N-methyl-1-phenylpropan-2-amine
CID 23261492
1-(3-bromophenyl)-N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
CID 63494741
1-N,4-dimethyl-1-N-(1-phenylbutyl)pentane-1,3-diamine
CID 115317343
N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
CID 62613768
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
2-N-methyl-1-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 65486259
(3S)-N,3,4,4-tetramethyl-N-[(2S)-3-methylbutan-2-yl]pentan-1-amine
CID 170065203

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,3-diphenylpropyl)-N,3-dimethylbutan-2-amine?
The IUPAC name of (2S)-N-(3,3-diphenylpropyl)-N,3-dimethylbutan-2-amine (CID 54447002) is (2S)-N-(3,3-diphenylpropyl)-N,3-dimethylbutan-2-amine.
What is the SMILES notation for (2S)-N-(3,3-diphenylpropyl)-N,3-dimethylbutan-2-amine?
The canonical SMILES for (2S)-N-(3,3-diphenylpropyl)-N,3-dimethylbutan-2-amine is CC(C)[C@H](C)N(C)CCC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N-(3,3-diphenylpropyl)-N,3-dimethylbutan-2-amine?
The InChIKey is ZRHCPWKAWKDTTM-SFHVURJKSA-N. The full InChI is InChI=1S/C21H29N/c1-17(2)18(3)22(4)16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18,21H,15-16H2,1-4H3/t18-/m0/s1.
What are the key properties of (2S)-N-(3,3-diphenylpropyl)-N,3-dimethylbutan-2-amine?
(2S)-N-(3,3-diphenylpropyl)-N,3-dimethylbutan-2-amine has a molecular weight of 295.47 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,3-diphenylpropyl)-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 54447002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).