2-[[cyclopentyl(ethyl)amino]methyl]-6-methoxyphenol

C15H23NO2 — CID 82977158

IUPAC2-[[cyclopentyl(ethyl)amino]methyl]-6-methoxyphenol
SMILESCCN(Cc1cccc(OC)c1O)C1CCCC1
InChIInChI=1S/C15H23NO2/c1-3-16(13-8-4-5-9-13)11-12-7-6-10-14(18-2)15(12)17/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3
InChIKeyFIRSIXGNOHOSJU-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.17
Rot. Bonds5

About 2-[[cyclopentyl(ethyl)amino]methyl]-6-methoxyphenol

2-[[cyclopentyl(ethyl)amino]methyl]-6-methoxyphenol (PubChem CID 82977158) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[[cyclopentyl(ethyl)amino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[cyclopentyl(ethyl)amino]methyl]-6-methoxyphenol
PubChem CID82977158
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[[cyclopentyl(ethyl)amino]methyl]-6-methoxyphenol
SMILESCCN(Cc1cccc(OC)c1O)C1CCCC1
InChIInChI=1S/C15H23NO2/c1-3-16(13-8-4-5-9-13)11-12-7-6-10-14(18-2)15(12)17/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3
InChIKeyFIRSIXGNOHOSJU-UHFFFAOYSA-N
XLogP3.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-methoxyphenol
CID 79115913
2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 63642755
2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol
CID 82974737
2-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-6-methoxyphenol
CID 82983855
2-methoxy-6-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]phenol
CID 79122393
2-methoxy-6-[[methyl(piperidin-2-ylmethyl)amino]methyl]phenol
CID 106622828
2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol
CID 102999106
2-methoxy-6-[[piperidin-2-ylmethyl(propyl)amino]methyl]phenol
CID 106623254
3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol
CID 103892705
2-[cyclopentyl-[(2-fluoro-3-methoxyphenyl)methyl]amino]ethanethioamide
CID 104792163
2-[cyclopropyl-[(3-ethoxy-2-hydroxyphenyl)methyl]amino]acetic acid
CID 65057874
5-[[cyclopentyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 65339590

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(ethyl)amino]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[cyclopentyl(ethyl)amino]methyl]-6-methoxyphenol (CID 82977158) is 2-[[cyclopentyl(ethyl)amino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[cyclopentyl(ethyl)amino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[cyclopentyl(ethyl)amino]methyl]-6-methoxyphenol is CCN(Cc1cccc(OC)c1O)C1CCCC1.
What is the InChIKey of 2-[[cyclopentyl(ethyl)amino]methyl]-6-methoxyphenol?
The InChIKey is FIRSIXGNOHOSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-16(13-8-4-5-9-13)11-12-7-6-10-14(18-2)15(12)17/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-[[cyclopentyl(ethyl)amino]methyl]-6-methoxyphenol?
2-[[cyclopentyl(ethyl)amino]methyl]-6-methoxyphenol has a molecular weight of 249.35 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(ethyl)amino]methyl]-6-methoxyphenol is sourced from PubChem (CID 82977158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).