(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine

C18H23N — CID 12814796

IUPAC(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
SMILESC[C@@H](CCc1ccccc1)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H23N/c1-15(13-14-17-9-5-3-6-10-17)19-16(2)18-11-7-4-8-12-18/h3-12,15-16,19H,13-14H2,1-2H3/t15-,16+/m0/s1
InChIKeyCDMGGJGCCHLDGS-JKSUJKDBSA-N
MW253.39 g/mol
LogP4.36
Rot. Bonds6

About (2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine

(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine (PubChem CID 12814796) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is (2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine.

Molecular Properties

Compound Name(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
PubChem CID12814796
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
SMILESC[C@@H](CCc1ccccc1)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H23N/c1-15(13-14-17-9-5-3-6-10-17)19-16(2)18-11-7-4-8-12-18/h3-12,15-16,19H,13-14H2,1-2H3/t15-,16+/m0/s1
InChIKeyCDMGGJGCCHLDGS-JKSUJKDBSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 81352287
N-[(1S)-1-(4-bromophenyl)ethyl]-4-phenylbutan-2-amine
CID 81359942
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81367480
4-(4-methoxyphenyl)-N-(1-phenylethyl)butan-2-amine
CID 19981570
4-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]butan-2-amine
CID 81350768
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81368068
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine
CID 79690841
N-methyl-4-[(3S)-3-[[(1S)-1-phenylethyl]amino]butyl]benzamide
CID 56997578
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81354744
methyl 4-[3-[[(1S)-1-phenylethyl]amino]butyl]benzoate
CID 22823575
5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine
CID 81350765
N,N-dimethyl-4-[1-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide
CID 119129540

Frequently Asked Questions

What is the IUPAC name of (2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine?
The IUPAC name of (2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine (CID 12814796) is (2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine.
What is the SMILES notation for (2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine?
The canonical SMILES for (2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine is C[C@@H](CCc1ccccc1)N[C@H](C)c1ccccc1.
What is the InChIKey of (2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine?
The InChIKey is CDMGGJGCCHLDGS-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H23N/c1-15(13-14-17-9-5-3-6-10-17)19-16(2)18-11-7-4-8-12-18/h3-12,15-16,19H,13-14H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of (2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine?
(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine is sourced from PubChem (CID 12814796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).