2-(4-chloro-2-methylanilino)cyclopentan-1-ol

C12H16ClNO — CID 25130591

IUPAC2-(4-chloro-2-methylanilino)cyclopentan-1-ol
SMILESCc1cc(Cl)ccc1NC1CCCC1O
InChIInChI=1S/C12H16ClNO/c1-8-7-9(13)5-6-10(8)14-11-3-2-4-12(11)15/h5-7,11-12,14-15H,2-4H2,1H3
InChIKeyXSNOVAOUYVBGJJ-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.97
Rot. Bonds2

About 2-(4-chloro-2-methylanilino)cyclopentan-1-ol

2-(4-chloro-2-methylanilino)cyclopentan-1-ol (PubChem CID 25130591) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-(4-chloro-2-methylanilino)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(4-chloro-2-methylanilino)cyclopentan-1-ol
PubChem CID25130591
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-(4-chloro-2-methylanilino)cyclopentan-1-ol
SMILESCc1cc(Cl)ccc1NC1CCCC1O
InChIInChI=1S/C12H16ClNO/c1-8-7-9(13)5-6-10(8)14-11-3-2-4-12(11)15/h5-7,11-12,14-15H,2-4H2,1H3
InChIKeyXSNOVAOUYVBGJJ-UHFFFAOYSA-N
XLogP2.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-methylanilino)cyclopentan-1-ol
CID 60884392
trans-(1S,2S)-2-(2,5-dichloroanilino)cyclopentan-1-ol
CID 102732904
trans-(1S,2S)-2-(4-chloro-2-fluoroanilino)cyclohexan-1-ol
CID 102731106
trans-(1S,2S)-2-(2-bromo-5-chloroanilino)cyclopentan-1-ol
CID 102733775
4-chloro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758056
trans-(1S,2S)-2-(2,5-dichloroanilino)cyclohexan-1-ol
CID 102730840
N'-(4-chloro-2-methylphenyl)-N-(2-hydroxycyclohexyl)oxamide
CID 111798227
trans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol
CID 93345925
2-(4-chloro-2-methylanilino)cycloheptane-1-carbonitrile
CID 114255856
trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol
CID 93345854
4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline
CID 43111567
trans-(1R,2R)-2-(2-bromo-5-chloro-4-methylanilino)cyclopentan-1-ol
CID 102734035

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylanilino)cyclopentan-1-ol?
The IUPAC name of 2-(4-chloro-2-methylanilino)cyclopentan-1-ol (CID 25130591) is 2-(4-chloro-2-methylanilino)cyclopentan-1-ol.
What is the SMILES notation for 2-(4-chloro-2-methylanilino)cyclopentan-1-ol?
The canonical SMILES for 2-(4-chloro-2-methylanilino)cyclopentan-1-ol is Cc1cc(Cl)ccc1NC1CCCC1O.
What is the InChIKey of 2-(4-chloro-2-methylanilino)cyclopentan-1-ol?
The InChIKey is XSNOVAOUYVBGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8-7-9(13)5-6-10(8)14-11-3-2-4-12(11)15/h5-7,11-12,14-15H,2-4H2,1H3.
What are the key properties of 2-(4-chloro-2-methylanilino)cyclopentan-1-ol?
2-(4-chloro-2-methylanilino)cyclopentan-1-ol has a molecular weight of 225.72 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylanilino)cyclopentan-1-ol is sourced from PubChem (CID 25130591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).