1-cyclopentyl-3-[1-(2,4-dichlorophenyl)ethylamino]propan-2-ol

C16H23Cl2NO — CID 103157105

IUPAC1-cyclopentyl-3-[1-(2,4-dichlorophenyl)ethylamino]propan-2-ol
SMILESCC(NCC(O)CC1CCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2NO/c1-11(15-7-6-13(17)9-16(15)18)19-10-14(20)8-12-4-2-3-5-12/h6-7,9,11-12,14,19-20H,2-5,8,10H2,1H3
InChIKeyCPGSBXWZUAQTTF-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.59
Rot. Bonds6

About 1-cyclopentyl-3-[1-(2,4-dichlorophenyl)ethylamino]propan-2-ol

1-cyclopentyl-3-[1-(2,4-dichlorophenyl)ethylamino]propan-2-ol (PubChem CID 103157105) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 1-cyclopentyl-3-[1-(2,4-dichlorophenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[1-(2,4-dichlorophenyl)ethylamino]propan-2-ol
PubChem CID103157105
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name1-cyclopentyl-3-[1-(2,4-dichlorophenyl)ethylamino]propan-2-ol
SMILESCC(NCC(O)CC1CCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2NO/c1-11(15-7-6-13(17)9-16(15)18)19-10-14(20)8-12-4-2-3-5-12/h6-7,9,11-12,14,19-20H,2-5,8,10H2,1H3
InChIKeyCPGSBXWZUAQTTF-UHFFFAOYSA-N
XLogP4.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-Chlorobenzyl)amino]-1-phenyl-1-propanol hydrochloride
CID 2975216
2-(Butylamino)-1,2-bis(4-chlorophenyl)ethanol;hydrochloride
CID 24184002
2-[(2,4-Dichlorobenzyl)amino]-1-phenyl-1-propanol hydrochloride
CID 2982245
2-[(4-Chlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 2997422
1-[(2,4-Dichlorobenzyl)amino]-2-propanol hydrochloride
CID 6457646
2-[(4-Chlorobenzyl)amino]-1-butanol
CID 961325
1-Butanol, 2-(((2-chlorophenyl)methyl)amino)-, hydrochloride, (R)-
CID 60563
1-Butanol, 2-(((2-chlorophenyl)methyl)amino)-, hydrochloride, (S)-
CID 60565
1-Propanol, 2-((p-chlorobenzyl)amino)-3-phenyl-
CID 205354
2-[(2,4-Dichlorophenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 962358
(2S,3S)-2-[(4-chlorophenyl)methylamino]-3-methylpentan-1-ol
CID 25263456
(2S,3S)-2-[1-(4-chlorophenyl)propan-2-ylamino]-3-methylpentan-1-ol
CID 45933045

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[1-(2,4-dichlorophenyl)ethylamino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[1-(2,4-dichlorophenyl)ethylamino]propan-2-ol (CID 103157105) is 1-cyclopentyl-3-[1-(2,4-dichlorophenyl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[1-(2,4-dichlorophenyl)ethylamino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[1-(2,4-dichlorophenyl)ethylamino]propan-2-ol is CC(NCC(O)CC1CCCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-cyclopentyl-3-[1-(2,4-dichlorophenyl)ethylamino]propan-2-ol?
The InChIKey is CPGSBXWZUAQTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-11(15-7-6-13(17)9-16(15)18)19-10-14(20)8-12-4-2-3-5-12/h6-7,9,11-12,14,19-20H,2-5,8,10H2,1H3.
What are the key properties of 1-cyclopentyl-3-[1-(2,4-dichlorophenyl)ethylamino]propan-2-ol?
1-cyclopentyl-3-[1-(2,4-dichlorophenyl)ethylamino]propan-2-ol has a molecular weight of 316.27 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[1-(2,4-dichlorophenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 103157105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).