(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol

C18H23NO — CID 103783978

IUPAC(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
SMILESCCCC(N[C@H](CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-2-9-17(15-10-5-3-6-11-15)19-18(14-20)16-12-7-4-8-13-16/h3-8,10-13,17-20H,2,9,14H2,1H3/t17?,18-/m1/s1
InChIKeyBJBMWBJWSORYJS-QRWMCTBCSA-N
MW269.39 g/mol
LogP3.85
Rot. Bonds7

About (2S)-2-phenyl-2-(1-phenylbutylamino)ethanol

(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol (PubChem CID 103783978) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (2S)-2-phenyl-2-(1-phenylbutylamino)ethanol.

Molecular Properties

Compound Name(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
PubChem CID103783978
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
SMILESCCCC(N[C@H](CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-2-9-17(15-10-5-3-6-11-15)19-18(14-20)16-12-7-4-8-13-16/h3-8,10-13,17-20H,2,9,14H2,1H3/t17?,18-/m1/s1
InChIKeyBJBMWBJWSORYJS-QRWMCTBCSA-N
XLogP3.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(heptan-4-ylamino)-2-phenylethanol
CID 55160187
1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
N-(2-methoxy-1-phenylethyl)-1-phenylbutan-1-amine
CID 103902246
(2R)-2-(heptan-2-ylamino)-2-phenylethanol
CID 103788664
(2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol
CID 103784133
2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol
CID 63182371
N-(1,1-difluoropropan-2-yl)-1-phenylbutan-1-amine
CID 102868679
ethyl (3S)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]hexanoate
CID 102303295
2-(1-phenylbutylamino)propanamide
CID 43401102
(2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]butane-1,4-diol
CID 15449405
(2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol
CID 107862261
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide
CID 113258887

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-(1-phenylbutylamino)ethanol?
The IUPAC name of (2S)-2-phenyl-2-(1-phenylbutylamino)ethanol (CID 103783978) is (2S)-2-phenyl-2-(1-phenylbutylamino)ethanol.
What is the SMILES notation for (2S)-2-phenyl-2-(1-phenylbutylamino)ethanol?
The canonical SMILES for (2S)-2-phenyl-2-(1-phenylbutylamino)ethanol is CCCC(N[C@H](CO)c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-(1-phenylbutylamino)ethanol?
The InChIKey is BJBMWBJWSORYJS-QRWMCTBCSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-9-17(15-10-5-3-6-11-15)19-18(14-20)16-12-7-4-8-13-16/h3-8,10-13,17-20H,2,9,14H2,1H3/t17?,18-/m1/s1.
What are the key properties of (2S)-2-phenyl-2-(1-phenylbutylamino)ethanol?
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol has a molecular weight of 269.39 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-(1-phenylbutylamino)ethanol is sourced from PubChem (CID 103783978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).