2-[(2-cyclopentylethylamino)methyl]-6-methylphenol

C15H23NO — CID 112554008

IUPAC2-[(2-cyclopentylethylamino)methyl]-6-methylphenol
SMILESCc1cccc(CNCCC2CCCC2)c1O
InChIInChI=1S/C15H23NO/c1-12-5-4-8-14(15(12)17)11-16-10-9-13-6-2-3-7-13/h4-5,8,13,16-17H,2-3,6-7,9-11H2,1H3
InChIKeyWDGGUUHNRUNMFS-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.37
Rot. Bonds5

About 2-[(2-cyclopentylethylamino)methyl]-6-methylphenol

2-[(2-cyclopentylethylamino)methyl]-6-methylphenol (PubChem CID 112554008) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[(2-cyclopentylethylamino)methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[(2-cyclopentylethylamino)methyl]-6-methylphenol
PubChem CID112554008
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-[(2-cyclopentylethylamino)methyl]-6-methylphenol
SMILESCc1cccc(CNCCC2CCCC2)c1O
InChIInChI=1S/C15H23NO/c1-12-5-4-8-14(15(12)17)11-16-10-9-13-6-2-3-7-13/h4-5,8,13,16-17H,2-3,6-7,9-11H2,1H3
InChIKeyWDGGUUHNRUNMFS-UHFFFAOYSA-N
XLogP3.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-cyclobutylethylamino)methyl]-6-methylphenol
CID 115908380
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol
CID 112554689
2-[[[(1R,2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]cyclohexyl]amino]methyl]-6-methylphenol
CID 90329687
2-chloro-6-[(3-cyclopentylpropylamino)methyl]phenol
CID 114136728
2-[(2-cyclopentylethylamino)methyl]-4-methylphenol
CID 63324647
2-(butylaminomethyl)-6-methylphenol
CID 82669937
2-cyclopentyl-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride
CID 115611231
2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol
CID 112553913
3-[(2-hydroxy-3-methylphenyl)methylamino]propanoic acid
CID 112606379
2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791607
N-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine
CID 115690120
2-methyl-6-[(2,2,3-trimethylbutylamino)methyl]phenol
CID 102673408

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentylethylamino)methyl]-6-methylphenol?
The IUPAC name of 2-[(2-cyclopentylethylamino)methyl]-6-methylphenol (CID 112554008) is 2-[(2-cyclopentylethylamino)methyl]-6-methylphenol.
What is the SMILES notation for 2-[(2-cyclopentylethylamino)methyl]-6-methylphenol?
The canonical SMILES for 2-[(2-cyclopentylethylamino)methyl]-6-methylphenol is Cc1cccc(CNCCC2CCCC2)c1O.
What is the InChIKey of 2-[(2-cyclopentylethylamino)methyl]-6-methylphenol?
The InChIKey is WDGGUUHNRUNMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-5-4-8-14(15(12)17)11-16-10-9-13-6-2-3-7-13/h4-5,8,13,16-17H,2-3,6-7,9-11H2,1H3.
What are the key properties of 2-[(2-cyclopentylethylamino)methyl]-6-methylphenol?
2-[(2-cyclopentylethylamino)methyl]-6-methylphenol has a molecular weight of 233.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentylethylamino)methyl]-6-methylphenol is sourced from PubChem (CID 112554008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).