2-ethoxy-4-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]phenol

C15H25NO3 — CID 62518899

IUPAC2-ethoxy-4-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]phenol
SMILESCCOc1cc(CNC(CC)(CC)CO)ccc1O
InChIInChI=1S/C15H25NO3/c1-4-15(5-2,11-17)16-10-12-7-8-13(18)14(9-12)19-6-3/h7-9,16-18H,4-6,10-11H2,1-3H3
InChIKeyIAPVUUWNJWLSGF-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.43
Rot. Bonds8

About 2-ethoxy-4-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]phenol

2-ethoxy-4-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]phenol (PubChem CID 62518899) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-ethoxy-4-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]phenol
PubChem CID62518899
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-ethoxy-4-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]phenol
SMILESCCOc1cc(CNC(CC)(CC)CO)ccc1O
InChIInChI=1S/C15H25NO3/c1-4-15(5-2,11-17)16-10-12-7-8-13(18)14(9-12)19-6-3/h7-9,16-18H,4-6,10-11H2,1-3H3
InChIKeyIAPVUUWNJWLSGF-UHFFFAOYSA-N
XLogP2.43
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-4-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]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

4-[(3-ethylpentan-3-ylamino)methyl]-2-methoxyphenol
CID 65039215
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 53256552
2-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethylbutan-1-ol
CID 65022002
2-ethoxy-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenol
CID 106143749
4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol
CID 60735183
2-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethylpropane-1,3-diol
CID 113248212
4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol
CID 64570279
4-[(but-3-yn-2-ylamino)methyl]-2-ethoxyphenol
CID 114415445
2-[(4-bromo-3-fluorophenyl)methylamino]-2-ethylbutan-1-ol
CID 79672182
2-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 4109207
2-ethoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 63278413

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]phenol (CID 62518899) is 2-ethoxy-4-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]phenol is CCOc1cc(CNC(CC)(CC)CO)ccc1O.
What is the InChIKey of 2-ethoxy-4-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]phenol?
The InChIKey is IAPVUUWNJWLSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-15(5-2,11-17)16-10-12-7-8-13(18)14(9-12)19-6-3/h7-9,16-18H,4-6,10-11H2,1-3H3.
What are the key properties of 2-ethoxy-4-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]phenol?
2-ethoxy-4-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]phenol has a molecular weight of 267.37 g/mol, XLogP of 2.43, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]phenol is sourced from PubChem (CID 62518899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).