2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol

C14H19Cl2NO — CID 60900468

IUPAC2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol
SMILESOC(CNCC1CCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2NO/c15-11-5-6-13(16)12(7-11)14(18)9-17-8-10-3-1-2-4-10/h5-7,10,14,17-18H,1-4,8-9H2
InChIKeyLRDFUKLKPNKNLM-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.81
Rot. Bonds5

About 2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol

2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol (PubChem CID 60900468) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol
PubChem CID60900468
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol
SMILESOC(CNCC1CCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2NO/c15-11-5-6-13(16)12(7-11)14(18)9-17-8-10-3-1-2-4-10/h5-7,10,14,17-18H,1-4,8-9H2
InChIKeyLRDFUKLKPNKNLM-UHFFFAOYSA-N
XLogP3.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol
CID 60900313
1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
CID 60903428
2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol
CID 60981166
1-(2,5-dichlorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol
CID 63490841
[2-cyclopentyl-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105299043
2-(benzylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60896669
(1S)-2-(cycloheptylmethylamino)-1-(3,4-difluorophenyl)ethanol
CID 95972210
2-[2-(cyclopenten-1-yl)ethylamino]-1-(2,5-dichlorophenyl)ethanol
CID 106174226
1-(2-chlorophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol
CID 60971864
1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 43317354
1,4-dichloro-2-(1-chloro-2-cyclohexylethyl)benzene
CID 55198146
2-[(3,5-dibromocyclooctyl)amino]-1-(2,5-dichlorophenyl)ethanol
CID 70463387

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol?
The IUPAC name of 2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol (CID 60900468) is 2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol?
The canonical SMILES for 2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol is OC(CNCC1CCCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol?
The InChIKey is LRDFUKLKPNKNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c15-11-5-6-13(16)12(7-11)14(18)9-17-8-10-3-1-2-4-10/h5-7,10,14,17-18H,1-4,8-9H2.
What are the key properties of 2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol?
2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol has a molecular weight of 288.22 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol is sourced from PubChem (CID 60900468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).