[1-(4-chloroanilino)-2,2-dimethylcyclopentyl]methanol

C14H20ClNO — CID 79863176

IUPAC[1-(4-chloroanilino)-2,2-dimethylcyclopentyl]methanol
SMILESCC1(C)CCCC1(CO)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO/c1-13(2)8-3-9-14(13,10-17)16-12-6-4-11(15)5-7-12/h4-7,16-17H,3,8-10H2,1-2H3
InChIKeyOGKFSRONDUEKQU-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.69
Rot. Bonds3

About [1-(4-chloroanilino)-2,2-dimethylcyclopentyl]methanol

[1-(4-chloroanilino)-2,2-dimethylcyclopentyl]methanol (PubChem CID 79863176) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is [1-(4-chloroanilino)-2,2-dimethylcyclopentyl]methanol.

Molecular Properties

Compound Name[1-(4-chloroanilino)-2,2-dimethylcyclopentyl]methanol
PubChem CID79863176
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name[1-(4-chloroanilino)-2,2-dimethylcyclopentyl]methanol
SMILESCC1(C)CCCC1(CO)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO/c1-13(2)8-3-9-14(13,10-17)16-12-6-4-11(15)5-7-12/h4-7,16-17H,3,8-10H2,1-2H3
InChIKeyOGKFSRONDUEKQU-UHFFFAOYSA-N
XLogP3.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chloroanilino)-2,2-dimethylcyclopentyl]methanol?
The IUPAC name of [1-(4-chloroanilino)-2,2-dimethylcyclopentyl]methanol (CID 79863176) is [1-(4-chloroanilino)-2,2-dimethylcyclopentyl]methanol.
What is the SMILES notation for [1-(4-chloroanilino)-2,2-dimethylcyclopentyl]methanol?
The canonical SMILES for [1-(4-chloroanilino)-2,2-dimethylcyclopentyl]methanol is CC1(C)CCCC1(CO)Nc1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chloroanilino)-2,2-dimethylcyclopentyl]methanol?
The InChIKey is OGKFSRONDUEKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-13(2)8-3-9-14(13,10-17)16-12-6-4-11(15)5-7-12/h4-7,16-17H,3,8-10H2,1-2H3.
What are the key properties of [1-(4-chloroanilino)-2,2-dimethylcyclopentyl]methanol?
[1-(4-chloroanilino)-2,2-dimethylcyclopentyl]methanol has a molecular weight of 253.77 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloroanilino)-2,2-dimethylcyclopentyl]methanol is sourced from PubChem (CID 79863176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).