2-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]ethanol

C14H20ClNO2 — CID 111470408

IUPAC2-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]ethanol
SMILESOCCNCc1cc(Cl)ccc1OC1CCCC1
InChIInChI=1S/C14H20ClNO2/c15-12-5-6-14(18-13-3-1-2-4-13)11(9-12)10-16-7-8-17/h5-6,9,13,16-17H,1-4,7-8,10H2
InChIKeyZCWSPEBYBJKWRB-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.74
Rot. Bonds6

About 2-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]ethanol

2-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]ethanol (PubChem CID 111470408) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]ethanol
PubChem CID111470408
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]ethanol
SMILESOCCNCc1cc(Cl)ccc1OC1CCCC1
InChIInChI=1S/C14H20ClNO2/c15-12-5-6-14(18-13-3-1-2-4-13)11(9-12)10-16-7-8-17/h5-6,9,13,16-17H,1-4,7-8,10H2
InChIKeyZCWSPEBYBJKWRB-UHFFFAOYSA-N
XLogP2.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]-2,2-dimethylbutanoic acid
CID 122127005
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol
CID 43424974
4-chloro-2-(chloromethyl)-1-cyclopentyloxybenzene
CID 43141955
N-[[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64748066
2-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 54931099
5-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pentan-1-ol
CID 107302833
1-(5-chloro-2-cyclopentyloxyphenyl)-N-[(4-methoxyoxan-4-yl)methyl]methanamine
CID 126776256
4-chloro-2-cyclobutyloxy-1-cyclopentyloxybenzene
CID 90887277
2-[4-chloro-2-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053988
N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]ethanamine
CID 113223119
N-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine
CID 63450398
4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine
CID 117387894

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]ethanol?
The IUPAC name of 2-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]ethanol (CID 111470408) is 2-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]ethanol.
What is the SMILES notation for 2-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]ethanol?
The canonical SMILES for 2-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]ethanol is OCCNCc1cc(Cl)ccc1OC1CCCC1.
What is the InChIKey of 2-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]ethanol?
The InChIKey is ZCWSPEBYBJKWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c15-12-5-6-14(18-13-3-1-2-4-13)11(9-12)10-16-7-8-17/h5-6,9,13,16-17H,1-4,7-8,10H2.
What are the key properties of 2-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]ethanol?
2-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]ethanol has a molecular weight of 269.77 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]ethanol is sourced from PubChem (CID 111470408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).