[2-(4-amino-2-chloroanilino)cyclopentyl]methanol

C12H17ClN2O — CID 106359015

IUPAC[2-(4-amino-2-chloroanilino)cyclopentyl]methanol
SMILESNc1ccc(NC2CCCC2CO)c(Cl)c1
InChIInChI=1S/C12H17ClN2O/c13-10-6-9(14)4-5-12(10)15-11-3-1-2-8(11)7-16/h4-6,8,11,15-16H,1-3,7,14H2
InChIKeyYONLRCIMOXKTTL-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.50
Rot. Bonds3

About [2-(4-amino-2-chloroanilino)cyclopentyl]methanol

[2-(4-amino-2-chloroanilino)cyclopentyl]methanol (PubChem CID 106359015) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is [2-(4-amino-2-chloroanilino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-(4-amino-2-chloroanilino)cyclopentyl]methanol
PubChem CID106359015
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name[2-(4-amino-2-chloroanilino)cyclopentyl]methanol
SMILESNc1ccc(NC2CCCC2CO)c(Cl)c1
InChIInChI=1S/C12H17ClN2O/c13-10-6-9(14)4-5-12(10)15-11-3-1-2-8(11)7-16/h4-6,8,11,15-16H,1-3,7,14H2
InChIKeyYONLRCIMOXKTTL-UHFFFAOYSA-N
XLogP2.50
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-2-chloroanilino)cyclopentyl]methanol?
The IUPAC name of [2-(4-amino-2-chloroanilino)cyclopentyl]methanol (CID 106359015) is [2-(4-amino-2-chloroanilino)cyclopentyl]methanol.
What is the SMILES notation for [2-(4-amino-2-chloroanilino)cyclopentyl]methanol?
The canonical SMILES for [2-(4-amino-2-chloroanilino)cyclopentyl]methanol is Nc1ccc(NC2CCCC2CO)c(Cl)c1.
What is the InChIKey of [2-(4-amino-2-chloroanilino)cyclopentyl]methanol?
The InChIKey is YONLRCIMOXKTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-10-6-9(14)4-5-12(10)15-11-3-1-2-8(11)7-16/h4-6,8,11,15-16H,1-3,7,14H2.
What are the key properties of [2-(4-amino-2-chloroanilino)cyclopentyl]methanol?
[2-(4-amino-2-chloroanilino)cyclopentyl]methanol has a molecular weight of 240.73 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-2-chloroanilino)cyclopentyl]methanol is sourced from PubChem (CID 106359015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).