2-[benzyl-[2-(2-methylphenoxy)ethyl]amino]ethanol

C18H23NO2 — CID 60685253

IUPAC2-[benzyl-[2-(2-methylphenoxy)ethyl]amino]ethanol
SMILESCc1ccccc1OCCN(CCO)Cc1ccccc1
InChIInChI=1S/C18H23NO2/c1-16-7-5-6-10-18(16)21-14-12-19(11-13-20)15-17-8-3-2-4-9-17/h2-10,20H,11-15H2,1H3
InChIKeyCTHPSWXWHXZLHD-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.87
Rot. Bonds8

About 2-[benzyl-[2-(2-methylphenoxy)ethyl]amino]ethanol

2-[benzyl-[2-(2-methylphenoxy)ethyl]amino]ethanol (PubChem CID 60685253) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[benzyl-[2-(2-methylphenoxy)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[2-(2-methylphenoxy)ethyl]amino]ethanol
PubChem CID60685253
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[benzyl-[2-(2-methylphenoxy)ethyl]amino]ethanol
SMILESCc1ccccc1OCCN(CCO)Cc1ccccc1
InChIInChI=1S/C18H23NO2/c1-16-7-5-6-10-18(16)21-14-12-19(11-13-20)15-17-8-3-2-4-9-17/h2-10,20H,11-15H2,1H3
InChIKeyCTHPSWXWHXZLHD-UHFFFAOYSA-N
XLogP2.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[benzyl-[2-(2-methylphenoxy)ethyl]amino]ethanol 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-[benzyl(2-hydroxyethyl)amino]ethoxy]benzonitrile
CID 110910679
2-[2-(4-aminophenoxy)ethyl-benzylamino]ethanol
CID 62114756
2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanol
CID 110908229
(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-(2,3-dimethylphenoxy)propan-2-ol
CID 27332155
(2S)-1-[benzyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161495
2-[benzyl(2-fluoroethyl)amino]ethanol
CID 80601443
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 3843080
2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol
CID 60684939
2-[2-methoxyethyl-[2-(2-methoxyphenoxy)ethyl]amino]ethanol
CID 115613810
(2S)-N-benzyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 27123609
N-(2-chloroethyl)-N-[2-(2-methoxyphenoxy)ethyl]-2-(2-methylphenoxy)ethanamine;hydrochloride
CID 3048671

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(2-methylphenoxy)ethyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[2-(2-methylphenoxy)ethyl]amino]ethanol (CID 60685253) is 2-[benzyl-[2-(2-methylphenoxy)ethyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[2-(2-methylphenoxy)ethyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[2-(2-methylphenoxy)ethyl]amino]ethanol is Cc1ccccc1OCCN(CCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-[2-(2-methylphenoxy)ethyl]amino]ethanol?
The InChIKey is CTHPSWXWHXZLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-16-7-5-6-10-18(16)21-14-12-19(11-13-20)15-17-8-3-2-4-9-17/h2-10,20H,11-15H2,1H3.
What are the key properties of 2-[benzyl-[2-(2-methylphenoxy)ethyl]amino]ethanol?
2-[benzyl-[2-(2-methylphenoxy)ethyl]amino]ethanol has a molecular weight of 285.39 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(2-methylphenoxy)ethyl]amino]ethanol is sourced from PubChem (CID 60685253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).