4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol

C17H21NO2 — CID 60944294

IUPAC4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol
SMILESCOc1cccc(C(C)NC(C)c2ccc(O)cc2)c1
InChIInChI=1S/C17H21NO2/c1-12(14-7-9-16(19)10-8-14)18-13(2)15-5-4-6-17(11-15)20-3/h4-13,18-19H,1-3H3
InChIKeyZWSZJRVLIPFTEF-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.81
Rot. Bonds5

About 4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol

4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol (PubChem CID 60944294) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol
PubChem CID60944294
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol
SMILESCOc1cccc(C(C)NC(C)c2ccc(O)cc2)c1
InChIInChI=1S/C17H21NO2/c1-12(14-7-9-16(19)10-8-14)18-13(2)15-5-4-6-17(11-15)20-3/h4-13,18-19H,1-3H3
InChIKeyZWSZJRVLIPFTEF-UHFFFAOYSA-N
XLogP3.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol 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

N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81376233
3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol
CID 81370710
3-[1-[1-(4-methoxyphenyl)ethylamino]ethyl]phenol
CID 43748561
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 81354846
1-(4-ethylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]ethanamine
CID 81353955
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318712
(1S)-N-[(1R)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318714
(1R)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81382610
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 60944542
4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol
CID 43205919
(2S)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 94212365
(1R)-N-[1-(furan-3-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81376126

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol?
The IUPAC name of 4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol (CID 60944294) is 4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol.
What is the SMILES notation for 4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol?
The canonical SMILES for 4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol is COc1cccc(C(C)NC(C)c2ccc(O)cc2)c1.
What is the InChIKey of 4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol?
The InChIKey is ZWSZJRVLIPFTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(14-7-9-16(19)10-8-14)18-13(2)15-5-4-6-17(11-15)20-3/h4-13,18-19H,1-3H3.
What are the key properties of 4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol?
4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol is sourced from PubChem (CID 60944294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).