1-cyclopentyl-3-(2,6-dichloroanilino)propan-2-ol

C14H19Cl2NO — CID 103157934

IUPAC1-cyclopentyl-3-(2,6-dichloroanilino)propan-2-ol
SMILESOC(CNc1c(Cl)cccc1Cl)CC1CCCC1
InChIInChI=1S/C14H19Cl2NO/c15-12-6-3-7-13(16)14(12)17-9-11(18)8-10-4-1-2-5-10/h3,6-7,10-11,17-18H,1-2,4-5,8-9H2
InChIKeyKGQSCBRSWPKQPJ-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.35
Rot. Bonds5

About 1-cyclopentyl-3-(2,6-dichloroanilino)propan-2-ol

1-cyclopentyl-3-(2,6-dichloroanilino)propan-2-ol (PubChem CID 103157934) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,6-dichloroanilino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,6-dichloroanilino)propan-2-ol
PubChem CID103157934
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name1-cyclopentyl-3-(2,6-dichloroanilino)propan-2-ol
SMILESOC(CNc1c(Cl)cccc1Cl)CC1CCCC1
InChIInChI=1S/C14H19Cl2NO/c15-12-6-3-7-13(16)14(12)17-9-11(18)8-10-4-1-2-5-10/h3,6-7,10-11,17-18H,1-2,4-5,8-9H2
InChIKeyKGQSCBRSWPKQPJ-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-chloroquinolin-8-yl)amino]-3-cyclopentylpropan-2-ol
CID 103158392
1-(4-bromoanilino)-3-cyclopentylpropan-2-ol
CID 103157119
1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol
CID 66251349
N-[3-[(3-cyclopentyl-2-hydroxypropyl)amino]phenyl]acetamide
CID 103157101
1-cyclopentyl-3-[3-(dimethylamino)anilino]propan-2-ol
CID 103158165
1-cyclopentyl-3-(naphthalen-2-ylamino)propan-2-ol
CID 103157283
1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol
CID 103156828
1-[2-(aminomethyl)-6-chlorophenoxy]-3-cyclopentylpropan-2-ol
CID 103156822
1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 65468625
1-cyclopentyl-3-(4-methoxyanilino)propan-2-ol
CID 103157166
2,6-dichloro-N-(cyclopropylmethyl)aniline
CID 13174436
1-cyclopentyl-3-(2,5-dibromoanilino)propan-2-ol
CID 103157464

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,6-dichloroanilino)propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-(2,6-dichloroanilino)propan-2-ol (CID 103157934) is 1-cyclopentyl-3-(2,6-dichloroanilino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-(2,6-dichloroanilino)propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-(2,6-dichloroanilino)propan-2-ol is OC(CNc1c(Cl)cccc1Cl)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2,6-dichloroanilino)propan-2-ol?
The InChIKey is KGQSCBRSWPKQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c15-12-6-3-7-13(16)14(12)17-9-11(18)8-10-4-1-2-5-10/h3,6-7,10-11,17-18H,1-2,4-5,8-9H2.
What are the key properties of 1-cyclopentyl-3-(2,6-dichloroanilino)propan-2-ol?
1-cyclopentyl-3-(2,6-dichloroanilino)propan-2-ol has a molecular weight of 288.22 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,6-dichloroanilino)propan-2-ol is sourced from PubChem (CID 103157934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).