2-(benzylamino)-2-(2-methoxyphenyl)propan-1-ol

C17H21NO2 — CID 61044896

IUPAC2-(benzylamino)-2-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1C(C)(CO)NCc1ccccc1
InChIInChI=1S/C17H21NO2/c1-17(13-19,15-10-6-7-11-16(15)20-2)18-12-14-8-4-3-5-9-14/h3-11,18-19H,12-13H2,1-2H3
InChIKeyCQZDFNSNFYIZLF-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.69
Rot. Bonds6

About 2-(benzylamino)-2-(2-methoxyphenyl)propan-1-ol

2-(benzylamino)-2-(2-methoxyphenyl)propan-1-ol (PubChem CID 61044896) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(benzylamino)-2-(2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(benzylamino)-2-(2-methoxyphenyl)propan-1-ol
PubChem CID61044896
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-(benzylamino)-2-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1C(C)(CO)NCc1ccccc1
InChIInChI=1S/C17H21NO2/c1-17(13-19,15-10-6-7-11-16(15)20-2)18-12-14-8-4-3-5-9-14/h3-11,18-19H,12-13H2,1-2H3
InChIKeyCQZDFNSNFYIZLF-UHFFFAOYSA-N
XLogP2.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(benzylamino)-2-(2-methoxyphenyl)propan-1-ol 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-(2-methoxyphenyl)-2-(propylamino)propan-1-ol
CID 61057006
2-(benzylamino)-2-(2-fluorophenyl)propan-1-ol
CID 61046917
2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol
CID 61049736
2-(4-bromoanilino)-2-(2-methoxyphenyl)propan-1-ol
CID 61049055
2-(benzylamino)-2-(6-methoxynaphthalen-2-yl)propan-1-ol
CID 113225435
4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]-2-methoxyphenol
CID 105057861
2-(benzylamino)-2-(4-methylphenyl)propan-1-ol
CID 61045814
(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
CID 55277390
2-(benzylamino)-2-(4-ethylphenyl)propan-1-ol
CID 61045809
2-(2-ethoxyphenyl)-2-(propylamino)propan-1-ol
CID 61056385
1-methoxy-2-(2-methoxypropan-2-yl)benzene
CID 58091763
2-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)propan-2-amine
CID 56825268

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(2-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-(benzylamino)-2-(2-methoxyphenyl)propan-1-ol (CID 61044896) is 2-(benzylamino)-2-(2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(benzylamino)-2-(2-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(benzylamino)-2-(2-methoxyphenyl)propan-1-ol is COc1ccccc1C(C)(CO)NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-2-(2-methoxyphenyl)propan-1-ol?
The InChIKey is CQZDFNSNFYIZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-17(13-19,15-10-6-7-11-16(15)20-2)18-12-14-8-4-3-5-9-14/h3-11,18-19H,12-13H2,1-2H3.
What are the key properties of 2-(benzylamino)-2-(2-methoxyphenyl)propan-1-ol?
2-(benzylamino)-2-(2-methoxyphenyl)propan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-(2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 61044896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).