2-[(1R)-1-amino-2-hydroxyethyl]-4-benzylphenol

C15H17NO2 — CID 66515522

IUPAC2-[(1R)-1-amino-2-hydroxyethyl]-4-benzylphenol
SMILESN[C@@H](CO)c1cc(Cc2ccccc2)ccc1O
InChIInChI=1S/C15H17NO2/c16-14(10-17)13-9-12(6-7-15(13)18)8-11-4-2-1-3-5-11/h1-7,9,14,17-18H,8,10,16H2/t14-/m0/s1
InChIKeyOSZZQXOTQYHNFS-AWEZNQCLSA-N
MW243.31 g/mol
LogP1.98
Rot. Bonds4

About 2-[(1R)-1-amino-2-hydroxyethyl]-4-benzylphenol

2-[(1R)-1-amino-2-hydroxyethyl]-4-benzylphenol (PubChem CID 66515522) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-hydroxyethyl]-4-benzylphenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-hydroxyethyl]-4-benzylphenol
PubChem CID66515522
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-[(1R)-1-amino-2-hydroxyethyl]-4-benzylphenol
SMILESN[C@@H](CO)c1cc(Cc2ccccc2)ccc1O
InChIInChI=1S/C15H17NO2/c16-14(10-17)13-9-12(6-7-15(13)18)8-11-4-2-1-3-5-11/h1-7,9,14,17-18H,8,10,16H2/t14-/m0/s1
InChIKeyOSZZQXOTQYHNFS-AWEZNQCLSA-N
XLogP1.98
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(1R)-1-amino-2-hydroxyethyl]-4-benzylphenol 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

2-[(1S)-1-amino-2-hydroxyethyl]-4-(aminomethyl)phenol
CID 55274535
3-[(1S)-1-amino-2-hydroxyethyl]-4-hydroxybenzoic acid
CID 55276793
4-benzyl-6-[(4-hydroxy-3-propan-2-ylphenyl)methyl]benzene-1,2,3-triol
CID 58626406
2-[(1S)-1,2-diaminoethyl]-4-(hydroxymethyl)phenol
CID 55264057
2-[(1S)-1-amino-2-hydroxyethyl]-4-tert-butylphenol
CID 66514668
N-[[4-[acetamido-(5-benzyl-2-hydroxyphenyl)methyl]phenyl]-(5-benzyl-2-hydroxyphenyl)methyl]acetamide
CID 102367054
2-[(1R)-1-amino-2-hydroxyethyl]-5-phenylmethoxyphenol;hydrochloride
CID 171234127
3-[(1S)-1-amino-2-hydroxyethyl]-4-hydroxybenzonitrile
CID 55262887
2-[1-(5-benzyl-2-hydroxyphenyl)ethylphosphanyl]benzaldehyde
CID 163676182
(5-benzyl-2-methoxyphenyl)methanediol
CID 70401164
2-[4-[(1S)-1-amino-2-hydroxyethyl]-3-hydroxyphenyl]acetic acid
CID 66514515
1-(4-benzylphenyl)ethanamine
CID 3962419

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-hydroxyethyl]-4-benzylphenol?
The IUPAC name of 2-[(1R)-1-amino-2-hydroxyethyl]-4-benzylphenol (CID 66515522) is 2-[(1R)-1-amino-2-hydroxyethyl]-4-benzylphenol.
What is the SMILES notation for 2-[(1R)-1-amino-2-hydroxyethyl]-4-benzylphenol?
The canonical SMILES for 2-[(1R)-1-amino-2-hydroxyethyl]-4-benzylphenol is N[C@@H](CO)c1cc(Cc2ccccc2)ccc1O.
What is the InChIKey of 2-[(1R)-1-amino-2-hydroxyethyl]-4-benzylphenol?
The InChIKey is OSZZQXOTQYHNFS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17NO2/c16-14(10-17)13-9-12(6-7-15(13)18)8-11-4-2-1-3-5-11/h1-7,9,14,17-18H,8,10,16H2/t14-/m0/s1.
What are the key properties of 2-[(1R)-1-amino-2-hydroxyethyl]-4-benzylphenol?
2-[(1R)-1-amino-2-hydroxyethyl]-4-benzylphenol has a molecular weight of 243.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2-hydroxyethyl]-4-benzylphenol is sourced from PubChem (CID 66515522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).