1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol

C14H20ClNO2 — CID 65108572

IUPAC1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol
SMILESOC(CNCC1(O)CCCC1)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c15-12-6-2-1-5-11(12)13(17)9-16-10-14(18)7-3-4-8-14/h1-2,5-6,13,16-18H,3-4,7-10H2
InChIKeyKUCVQUVQEMVGNI-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.27
Rot. Bonds5

About 1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol

1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol (PubChem CID 65108572) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol
PubChem CID65108572
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol
SMILESOC(CNCC1(O)CCCC1)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c15-12-6-2-1-5-11(12)13(17)9-16-10-14(18)7-3-4-8-14/h1-2,5-6,13,16-18H,3-4,7-10H2
InChIKeyKUCVQUVQEMVGNI-UHFFFAOYSA-N
XLogP2.27
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65120546
1-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol
CID 65108673
1-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 65109009
1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
CID 60903428
1-[[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 65108728
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 76957004
1-[[[(3R)-3-hydroxy-3-phenylpropyl]amino]methyl]cyclobutan-1-ol
CID 112742137
1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol
CID 65106313
3-chloro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 78960288
1-(2-chlorophenyl)-2-(octylamino)ethanol
CID 115567759
1-(2-chlorophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol
CID 60971864

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol (CID 65108572) is 1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol is OC(CNCC1(O)CCCC1)c1ccccc1Cl.
What is the InChIKey of 1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is KUCVQUVQEMVGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c15-12-6-2-1-5-11(12)13(17)9-16-10-14(18)7-3-4-8-14/h1-2,5-6,13,16-18H,3-4,7-10H2.
What are the key properties of 1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol?
1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 269.77 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65108572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).