2-[(2-cyclopentylethylamino)methyl]-4-methylphenol

C15H23NO — CID 63324647

IUPAC2-[(2-cyclopentylethylamino)methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNCCC2CCCC2)c1
InChIInChI=1S/C15H23NO/c1-12-6-7-15(17)14(10-12)11-16-9-8-13-4-2-3-5-13/h6-7,10,13,16-17H,2-5,8-9,11H2,1H3
InChIKeyZLEIINTYTHETHE-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.37
Rot. Bonds5

About 2-[(2-cyclopentylethylamino)methyl]-4-methylphenol

2-[(2-cyclopentylethylamino)methyl]-4-methylphenol (PubChem CID 63324647) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[(2-cyclopentylethylamino)methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(2-cyclopentylethylamino)methyl]-4-methylphenol
PubChem CID63324647
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-[(2-cyclopentylethylamino)methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNCCC2CCCC2)c1
InChIInChI=1S/C15H23NO/c1-12-6-7-15(17)14(10-12)11-16-9-8-13-4-2-3-5-13/h6-7,10,13,16-17H,2-5,8-9,11H2,1H3
InChIKeyZLEIINTYTHETHE-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

4-methyl-2-[[2-(oxan-2-yl)ethylamino]methyl]phenol
CID 103993059
4-methyl-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 55205702
2-cyclohexyl-N-[(5-methyl-2-nitrophenyl)methyl]ethanamine
CID 142706093
2-[(2-cyclopropylethylamino)methyl]-4,5-dimethylphenol
CID 115656460
2-[(2-cyclopentylethylamino)methyl]-6-methylphenol
CID 112554008
4-fluoro-2-[[2-(3-methylcyclohexyl)ethylamino]methyl]phenol
CID 107694453
2-[(2-cyclopropylpropan-2-ylamino)methyl]-4-methylphenol
CID 103700268
4-methyl-2-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol
CID 63324621
4-methyl-2-[(2-methylsulfanylethylamino)methyl]phenol
CID 63983272
2-[(cyclohex-3-en-1-ylmethylamino)methyl]-4-methylphenol
CID 63325012
2-[[3-(dimethylamino)propylamino]methyl]-4-methylphenol
CID 21057500
2-[(2-cyclobutylethylamino)methyl]-6-methylphenol
CID 115908380

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentylethylamino)methyl]-4-methylphenol?
The IUPAC name of 2-[(2-cyclopentylethylamino)methyl]-4-methylphenol (CID 63324647) is 2-[(2-cyclopentylethylamino)methyl]-4-methylphenol.
What is the SMILES notation for 2-[(2-cyclopentylethylamino)methyl]-4-methylphenol?
The canonical SMILES for 2-[(2-cyclopentylethylamino)methyl]-4-methylphenol is Cc1ccc(O)c(CNCCC2CCCC2)c1.
What is the InChIKey of 2-[(2-cyclopentylethylamino)methyl]-4-methylphenol?
The InChIKey is ZLEIINTYTHETHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-6-7-15(17)14(10-12)11-16-9-8-13-4-2-3-5-13/h6-7,10,13,16-17H,2-5,8-9,11H2,1H3.
What are the key properties of 2-[(2-cyclopentylethylamino)methyl]-4-methylphenol?
2-[(2-cyclopentylethylamino)methyl]-4-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]-4-methylphenol is sourced from PubChem (CID 63324647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).