4-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-2-methoxyphenol

C17H21NO3 — CID 107229768

IUPAC4-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)NCc2cccc(CO)c2)ccc1O
InChIInChI=1S/C17H21NO3/c1-12(15-6-7-16(20)17(9-15)21-2)18-10-13-4-3-5-14(8-13)11-19/h3-9,12,18-20H,10-11H2,1-2H3
InChIKeyPHNVLXCRDSNVDG-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.74
Rot. Bonds6

About 4-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-2-methoxyphenol

4-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-2-methoxyphenol (PubChem CID 107229768) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-2-methoxyphenol
PubChem CID107229768
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)NCc2cccc(CO)c2)ccc1O
InChIInChI=1S/C17H21NO3/c1-12(15-6-7-16(20)17(9-15)21-2)18-10-13-4-3-5-14(8-13)11-19/h3-9,12,18-20H,10-11H2,1-2H3
InChIKeyPHNVLXCRDSNVDG-UHFFFAOYSA-N
XLogP2.74
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-2-methoxyphenol 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-methoxy-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81364019
2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81348669
4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 81353611
2-methoxy-4-[1-(2-phenylethylamino)ethyl]phenol
CID 43194110
[3-[[1-(4-ethylphenyl)ethylamino]methyl]phenyl]methanol
CID 103781733
[3-[[1-(4-bromophenyl)ethylamino]methyl]phenyl]methanol
CID 103729618
3-[[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]methyl]phenol
CID 95336432
2-methoxy-4-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]phenol
CID 60857683
[4-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]phenyl]methanol
CID 103947395
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]acetamide
CID 16772013
2-methoxy-4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 28624338
2-methoxy-4-[1-(3-methylbutylamino)ethyl]phenol
CID 43193059

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-2-methoxyphenol (CID 107229768) is 4-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-2-methoxyphenol is COc1cc(C(C)NCc2cccc(CO)c2)ccc1O.
What is the InChIKey of 4-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-2-methoxyphenol?
The InChIKey is PHNVLXCRDSNVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(15-6-7-16(20)17(9-15)21-2)18-10-13-4-3-5-14(8-13)11-19/h3-9,12,18-20H,10-11H2,1-2H3.
What are the key properties of 4-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-2-methoxyphenol?
4-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-2-methoxyphenol has a molecular weight of 287.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-2-methoxyphenol is sourced from PubChem (CID 107229768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).