N-[(1S)-1-(3-methylphenyl)ethyl]-1-phenylbutan-2-amine

C19H25N — CID 81363641

IUPACN-[(1S)-1-(3-methylphenyl)ethyl]-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)N[C@@H](C)c1cccc(C)c1
InChIInChI=1S/C19H25N/c1-4-19(14-17-10-6-5-7-11-17)20-16(3)18-12-8-9-15(2)13-18/h5-13,16,19-20H,4,14H2,1-3H3/t16-,19?/m0/s1
InChIKeyRJCPEMCWJZXARU-UCFFOFKASA-N
MW267.42 g/mol
LogP4.67
Rot. Bonds6

About N-[(1S)-1-(3-methylphenyl)ethyl]-1-phenylbutan-2-amine

N-[(1S)-1-(3-methylphenyl)ethyl]-1-phenylbutan-2-amine (PubChem CID 81363641) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[(1S)-1-(3-methylphenyl)ethyl]-1-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-methylphenyl)ethyl]-1-phenylbutan-2-amine
PubChem CID81363641
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[(1S)-1-(3-methylphenyl)ethyl]-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)N[C@@H](C)c1cccc(C)c1
InChIInChI=1S/C19H25N/c1-4-19(14-17-10-6-5-7-11-17)20-16(3)18-12-8-9-15(2)13-18/h5-13,16,19-20H,4,14H2,1-3H3/t16-,19?/m0/s1
InChIKeyRJCPEMCWJZXARU-UCFFOFKASA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-methylphenyl)ethyl]hexan-3-amine
CID 62119474
(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
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N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylbutan-2-amine
CID 81354706
1-phenyl-N-(1-pyridin-3-ylethyl)butan-2-amine
CID 79007375
3-[1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]ethyl]phenol
CID 107860727
N-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride
CID 22831493
3-methyl-N-[(2R)-1-phenylbutan-2-yl]benzamide
CID 2226547
3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 2226546
1-ethylsulfonyl-N-[(1R)-1-(3-methylphenyl)ethyl]propan-2-amine
CID 104867052
(1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine
CID 81364217
tert-butyl N-[2-[1-(3-methylphenyl)ethylamino]butyl]carbamate
CID 107251337
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine
CID 81366808

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methylphenyl)ethyl]-1-phenylbutan-2-amine?
The IUPAC name of N-[(1S)-1-(3-methylphenyl)ethyl]-1-phenylbutan-2-amine (CID 81363641) is N-[(1S)-1-(3-methylphenyl)ethyl]-1-phenylbutan-2-amine.
What is the SMILES notation for N-[(1S)-1-(3-methylphenyl)ethyl]-1-phenylbutan-2-amine?
The canonical SMILES for N-[(1S)-1-(3-methylphenyl)ethyl]-1-phenylbutan-2-amine is CCC(Cc1ccccc1)N[C@@H](C)c1cccc(C)c1.
What is the InChIKey of N-[(1S)-1-(3-methylphenyl)ethyl]-1-phenylbutan-2-amine?
The InChIKey is RJCPEMCWJZXARU-UCFFOFKASA-N. The full InChI is InChI=1S/C19H25N/c1-4-19(14-17-10-6-5-7-11-17)20-16(3)18-12-8-9-15(2)13-18/h5-13,16,19-20H,4,14H2,1-3H3/t16-,19?/m0/s1.
What are the key properties of N-[(1S)-1-(3-methylphenyl)ethyl]-1-phenylbutan-2-amine?
N-[(1S)-1-(3-methylphenyl)ethyl]-1-phenylbutan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methylphenyl)ethyl]-1-phenylbutan-2-amine is sourced from PubChem (CID 81363641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).