2-ethoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenol

C15H23NO2 — CID 63278413

IUPAC2-ethoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenol
SMILESCCOc1cc(CNC2CCCC2C)ccc1O
InChIInChI=1S/C15H23NO2/c1-3-18-15-9-12(7-8-14(15)17)10-16-13-6-4-5-11(13)2/h7-9,11,13,16-17H,3-6,10H2,1-2H3
InChIKeyYKQMYDKWFNFOJT-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.07
Rot. Bonds5

About 2-ethoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenol

2-ethoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenol (PubChem CID 63278413) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-ethoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenol
PubChem CID63278413
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-ethoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenol
SMILESCCOc1cc(CNC2CCCC2C)ccc1O
InChIInChI=1S/C15H23NO2/c1-3-18-15-9-12(7-8-14(15)17)10-16-13-6-4-5-11(13)2/h7-9,11,13,16-17H,3-6,10H2,1-2H3
InChIKeyYKQMYDKWFNFOJT-UHFFFAOYSA-N
XLogP3.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol
CID 155509277
2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol;formic acid
CID 155940077
4-[[(2,3-dimethylcyclohexyl)amino]methyl]benzene-1,2-diol
CID 43179140
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
4-[(3-ethoxy-4-hydroxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 65054528
3-[(3-ethoxy-4-hydroxyphenyl)methylamino]piperidin-2-one
CID 62092103
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55171660
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol
CID 63994863
4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-ethoxyphenol;hydrochloride
CID 163329632
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-ethoxyphenol
CID 81390490
2-methyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine
CID 63277985
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994874

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenol (CID 63278413) is 2-ethoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenol is CCOc1cc(CNC2CCCC2C)ccc1O.
What is the InChIKey of 2-ethoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenol?
The InChIKey is YKQMYDKWFNFOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-18-15-9-12(7-8-14(15)17)10-16-13-6-4-5-11(13)2/h7-9,11,13,16-17H,3-6,10H2,1-2H3.
What are the key properties of 2-ethoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenol?
2-ethoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenol has a molecular weight of 249.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenol is sourced from PubChem (CID 63278413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).