2-[2-(cyclopentylmethylamino)ethyl]phenol

C14H21NO — CID 115905206

IUPAC2-[2-(cyclopentylmethylamino)ethyl]phenol
SMILESOc1ccccc1CCNCC1CCCC1
InChIInChI=1S/C14H21NO/c16-14-8-4-3-7-13(14)9-10-15-11-12-5-1-2-6-12/h3-4,7-8,12,15-16H,1-2,5-6,9-11H2
InChIKeyLLYOFMIQKBNLFI-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.71
Rot. Bonds5

About 2-[2-(cyclopentylmethylamino)ethyl]phenol

2-[2-(cyclopentylmethylamino)ethyl]phenol (PubChem CID 115905206) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[2-(cyclopentylmethylamino)ethyl]phenol.

Molecular Properties

Compound Name2-[2-(cyclopentylmethylamino)ethyl]phenol
PubChem CID115905206
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[2-(cyclopentylmethylamino)ethyl]phenol
SMILESOc1ccccc1CCNCC1CCCC1
InChIInChI=1S/C14H21NO/c16-14-8-4-3-7-13(14)9-10-15-11-12-5-1-2-6-12/h3-4,7-8,12,15-16H,1-2,5-6,9-11H2
InChIKeyLLYOFMIQKBNLFI-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(cyclopentylmethylamino)methyl]phenol
CID 43370918
2-(2-cyclopentylethyl)phenol
CID 57085599
2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine
CID 60984047
3-cyclohexyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide
CID 110483602
N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine
CID 61342806
2-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 106259721
2-(cyclobutylmethyl)phenol
CID 115012772
N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
CID 61344810
2-[2-(ethylamino)ethyl]phenol;hydrochloride
CID 68825944
4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine
CID 115213507
2-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 115210021
2-[[(4-tert-butylcyclohexyl)methylamino]methyl]phenol
CID 114331599

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylmethylamino)ethyl]phenol?
The IUPAC name of 2-[2-(cyclopentylmethylamino)ethyl]phenol (CID 115905206) is 2-[2-(cyclopentylmethylamino)ethyl]phenol.
What is the SMILES notation for 2-[2-(cyclopentylmethylamino)ethyl]phenol?
The canonical SMILES for 2-[2-(cyclopentylmethylamino)ethyl]phenol is Oc1ccccc1CCNCC1CCCC1.
What is the InChIKey of 2-[2-(cyclopentylmethylamino)ethyl]phenol?
The InChIKey is LLYOFMIQKBNLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c16-14-8-4-3-7-13(14)9-10-15-11-12-5-1-2-6-12/h3-4,7-8,12,15-16H,1-2,5-6,9-11H2.
What are the key properties of 2-[2-(cyclopentylmethylamino)ethyl]phenol?
2-[2-(cyclopentylmethylamino)ethyl]phenol has a molecular weight of 219.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylmethylamino)ethyl]phenol is sourced from PubChem (CID 115905206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).