(2S)-2-[(2-methyl-1H-pyrrol-3-yl)amino]-2-phenylethanol

C13H16N2O — CID 174809209

IUPAC(2S)-2-[(2-methyl-1H-pyrrol-3-yl)amino]-2-phenylethanol
SMILESCc1[nH]ccc1N[C@H](CO)c1ccccc1
InChIInChI=1S/C13H16N2O/c1-10-12(7-8-14-10)15-13(9-16)11-5-3-2-4-6-11/h2-8,13-16H,9H2,1H3/t13-/m1/s1
InChIKeyFHQVNDSSFCNEIF-CYBMUJFWSA-N
MW216.28 g/mol
LogP2.47
Rot. Bonds4

About (2S)-2-[(2-methyl-1H-pyrrol-3-yl)amino]-2-phenylethanol

(2S)-2-[(2-methyl-1H-pyrrol-3-yl)amino]-2-phenylethanol (PubChem CID 174809209) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S)-2-[(2-methyl-1H-pyrrol-3-yl)amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[(2-methyl-1H-pyrrol-3-yl)amino]-2-phenylethanol
PubChem CID174809209
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(2S)-2-[(2-methyl-1H-pyrrol-3-yl)amino]-2-phenylethanol
SMILESCc1[nH]ccc1N[C@H](CO)c1ccccc1
InChIInChI=1S/C13H16N2O/c1-10-12(7-8-14-10)15-13(9-16)11-5-3-2-4-6-11/h2-8,13-16H,9H2,1H3/t13-/m1/s1
InChIKeyFHQVNDSSFCNEIF-CYBMUJFWSA-N
XLogP2.47
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(2-methyl-1H-pyrrol-3-yl)amino]-2-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(2-bromoanilino)-2-phenylethanol
CID 135041919
2-(2-aminoanilino)-2-(4-methylphenyl)ethanol
CID 139535831
2-[(6-methyl-2-pyridinyl)amino]-2-phenylethanol
CID 63183355
2-(4-chlorophenyl)-2-(2-methylanilino)ethanol
CID 61045329
2-(hydroxyamino)-2-phenylethanol
CID 12782000
2-(2-nitroanilino)-2-phenylethanol
CID 24950496
2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenylethanol
CID 64982613
2-(3-fluorophenyl)-2-(2-methylanilino)ethanol
CID 61047365
2-[3-(difluoromethyl)phenyl]-2-(2-methylanilino)ethanol
CID 115528113
2-(3-bromophenyl)-2-(2-methylanilino)ethanol
CID 61045334
4-bromo-2-ethyl-5-[(2-hydroxy-1-phenylethyl)amino]pyridazin-3-one
CID 114437604
(2S)-2-(4-methylsulfonyl-2-nitroanilino)-2-phenylethanol
CID 95317522

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methyl-1H-pyrrol-3-yl)amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[(2-methyl-1H-pyrrol-3-yl)amino]-2-phenylethanol (CID 174809209) is (2S)-2-[(2-methyl-1H-pyrrol-3-yl)amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[(2-methyl-1H-pyrrol-3-yl)amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[(2-methyl-1H-pyrrol-3-yl)amino]-2-phenylethanol is Cc1[nH]ccc1N[C@H](CO)c1ccccc1.
What is the InChIKey of (2S)-2-[(2-methyl-1H-pyrrol-3-yl)amino]-2-phenylethanol?
The InChIKey is FHQVNDSSFCNEIF-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-12(7-8-14-10)15-13(9-16)11-5-3-2-4-6-11/h2-8,13-16H,9H2,1H3/t13-/m1/s1.
What are the key properties of (2S)-2-[(2-methyl-1H-pyrrol-3-yl)amino]-2-phenylethanol?
(2S)-2-[(2-methyl-1H-pyrrol-3-yl)amino]-2-phenylethanol has a molecular weight of 216.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methyl-1H-pyrrol-3-yl)amino]-2-phenylethanol is sourced from PubChem (CID 174809209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).