(2S)-2-phenyl-2-[[(1S)-2-phenyl-1-(1H-pyrrol-2-yl)ethyl]amino]ethanol

C20H22N2O — CID 24744115

IUPAC(2S)-2-phenyl-2-[[(1S)-2-phenyl-1-(1H-pyrrol-2-yl)ethyl]amino]ethanol
SMILESOC[C@@H](N[C@@H](Cc1ccccc1)c1ccc[nH]1)c1ccccc1
InChIInChI=1S/C20H22N2O/c23-15-20(17-10-5-2-6-11-17)22-19(18-12-7-13-21-18)14-16-8-3-1-4-9-16/h1-13,19-23H,14-15H2/t19-,20+/m0/s1
InChIKeyAXAYYXHIWYCMMN-VQTJNVASSA-N
MW306.41 g/mol
LogP3.62
Rot. Bonds7

About (2S)-2-phenyl-2-[[(1S)-2-phenyl-1-(1H-pyrrol-2-yl)ethyl]amino]ethanol

(2S)-2-phenyl-2-[[(1S)-2-phenyl-1-(1H-pyrrol-2-yl)ethyl]amino]ethanol (PubChem CID 24744115) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[[(1S)-2-phenyl-1-(1H-pyrrol-2-yl)ethyl]amino]ethanol.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[[(1S)-2-phenyl-1-(1H-pyrrol-2-yl)ethyl]amino]ethanol
PubChem CID24744115
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name(2S)-2-phenyl-2-[[(1S)-2-phenyl-1-(1H-pyrrol-2-yl)ethyl]amino]ethanol
SMILESOC[C@@H](N[C@@H](Cc1ccccc1)c1ccc[nH]1)c1ccccc1
InChIInChI=1S/C20H22N2O/c23-15-20(17-10-5-2-6-11-17)22-19(18-12-7-13-21-18)14-16-8-3-1-4-9-16/h1-13,19-23H,14-15H2/t19-,20+/m0/s1
InChIKeyAXAYYXHIWYCMMN-VQTJNVASSA-N
XLogP3.62
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-phenyl-2-(1-phenylpropan-2-ylamino)ethanol
CID 107862161
(2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol
CID 103788766
(2R)-2-(1,2-diphenylethylamino)propan-1-ol
CID 114986946
N-[(1S)-1,2-diphenylethyl]hydroxylamine
CID 163358827
N-(1,2-diphenylethyl)hydroxylamine
CID 82685199
2-[1-(4-fluorophenyl)propan-2-ylamino]-2-phenylethanol
CID 115720367
N-benzhydryl-1,2-diphenylethanamine
CID 101366117
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
2-(1-phenylbutan-2-yl)-1H-pyrrole
CID 57270402
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol
CID 103522284
(2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol
CID 103784069
N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide
CID 63184689

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[[(1S)-2-phenyl-1-(1H-pyrrol-2-yl)ethyl]amino]ethanol?
The IUPAC name of (2S)-2-phenyl-2-[[(1S)-2-phenyl-1-(1H-pyrrol-2-yl)ethyl]amino]ethanol (CID 24744115) is (2S)-2-phenyl-2-[[(1S)-2-phenyl-1-(1H-pyrrol-2-yl)ethyl]amino]ethanol.
What is the SMILES notation for (2S)-2-phenyl-2-[[(1S)-2-phenyl-1-(1H-pyrrol-2-yl)ethyl]amino]ethanol?
The canonical SMILES for (2S)-2-phenyl-2-[[(1S)-2-phenyl-1-(1H-pyrrol-2-yl)ethyl]amino]ethanol is OC[C@@H](N[C@@H](Cc1ccccc1)c1ccc[nH]1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-[[(1S)-2-phenyl-1-(1H-pyrrol-2-yl)ethyl]amino]ethanol?
The InChIKey is AXAYYXHIWYCMMN-VQTJNVASSA-N. The full InChI is InChI=1S/C20H22N2O/c23-15-20(17-10-5-2-6-11-17)22-19(18-12-7-13-21-18)14-16-8-3-1-4-9-16/h1-13,19-23H,14-15H2/t19-,20+/m0/s1.
What are the key properties of (2S)-2-phenyl-2-[[(1S)-2-phenyl-1-(1H-pyrrol-2-yl)ethyl]amino]ethanol?
(2S)-2-phenyl-2-[[(1S)-2-phenyl-1-(1H-pyrrol-2-yl)ethyl]amino]ethanol has a molecular weight of 306.41 g/mol, XLogP of 3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[[(1S)-2-phenyl-1-(1H-pyrrol-2-yl)ethyl]amino]ethanol is sourced from PubChem (CID 24744115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).