(2S)-2-phenyl-2-[(1-propylpyrrol-3-yl)methylamino]ethanol

C16H22N2O — CID 103527298

IUPAC(2S)-2-phenyl-2-[(1-propylpyrrol-3-yl)methylamino]ethanol
SMILESCCCn1ccc(CN[C@H](CO)c2ccccc2)c1
InChIInChI=1S/C16H22N2O/c1-2-9-18-10-8-14(12-18)11-17-16(13-19)15-6-4-3-5-7-15/h3-8,10,12,16-17,19H,2,9,11,13H2,1H3/t16-/m1/s1
InChIKeyODKGFIZUCCMCGG-MRXNPFEDSA-N
MW258.37 g/mol
LogP2.72
Rot. Bonds7

About (2S)-2-phenyl-2-[(1-propylpyrrol-3-yl)methylamino]ethanol

(2S)-2-phenyl-2-[(1-propylpyrrol-3-yl)methylamino]ethanol (PubChem CID 103527298) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[(1-propylpyrrol-3-yl)methylamino]ethanol.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[(1-propylpyrrol-3-yl)methylamino]ethanol
PubChem CID103527298
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name(2S)-2-phenyl-2-[(1-propylpyrrol-3-yl)methylamino]ethanol
SMILESCCCn1ccc(CN[C@H](CO)c2ccccc2)c1
InChIInChI=1S/C16H22N2O/c1-2-9-18-10-8-14(12-18)11-17-16(13-19)15-6-4-3-5-7-15/h3-8,10,12,16-17,19H,2,9,11,13H2,1H3/t16-/m1/s1
InChIKeyODKGFIZUCCMCGG-MRXNPFEDSA-N
XLogP2.72
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-fluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 81348106
(1R)-N-[(1-propylpyrrol-3-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401978
(2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol
CID 107862266
2-[(4-butoxyphenyl)methylamino]-2-phenylethanol
CID 119134482
1-(1,3-benzodioxol-5-yl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66413949
2-phenyl-2-[(3-propylimidazol-4-yl)methylamino]ethanol
CID 66130986
3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1-phenylbutan-1-amine
CID 66398321
1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
CID 66398623
4-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2,6-dimethylphenol
CID 63182162
2-methyl-5-[(1-propylpyrrol-3-yl)methylamino]pentan-1-ol
CID 103527583
1-(3,4-difluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66400310
N,N-diethyl-2-[(1-propylpyrrol-3-yl)methylamino]propanamide
CID 66413975

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[(1-propylpyrrol-3-yl)methylamino]ethanol?
The IUPAC name of (2S)-2-phenyl-2-[(1-propylpyrrol-3-yl)methylamino]ethanol (CID 103527298) is (2S)-2-phenyl-2-[(1-propylpyrrol-3-yl)methylamino]ethanol.
What is the SMILES notation for (2S)-2-phenyl-2-[(1-propylpyrrol-3-yl)methylamino]ethanol?
The canonical SMILES for (2S)-2-phenyl-2-[(1-propylpyrrol-3-yl)methylamino]ethanol is CCCn1ccc(CN[C@H](CO)c2ccccc2)c1.
What is the InChIKey of (2S)-2-phenyl-2-[(1-propylpyrrol-3-yl)methylamino]ethanol?
The InChIKey is ODKGFIZUCCMCGG-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-9-18-10-8-14(12-18)11-17-16(13-19)15-6-4-3-5-7-15/h3-8,10,12,16-17,19H,2,9,11,13H2,1H3/t16-/m1/s1.
What are the key properties of (2S)-2-phenyl-2-[(1-propylpyrrol-3-yl)methylamino]ethanol?
(2S)-2-phenyl-2-[(1-propylpyrrol-3-yl)methylamino]ethanol has a molecular weight of 258.37 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[(1-propylpyrrol-3-yl)methylamino]ethanol is sourced from PubChem (CID 103527298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).