[3-(2-amino-6-chloroanilino)cyclohexyl]methanol

C13H19ClN2O — CID 112753261

IUPAC[3-(2-amino-6-chloroanilino)cyclohexyl]methanol
SMILESNc1cccc(Cl)c1NC1CCCC(CO)C1
InChIInChI=1S/C13H19ClN2O/c14-11-5-2-6-12(15)13(11)16-10-4-1-3-9(7-10)8-17/h2,5-6,9-10,16-17H,1,3-4,7-8,15H2
InChIKeyJEIDMNIEPMOMNI-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.89
Rot. Bonds3

About [3-(2-amino-6-chloroanilino)cyclohexyl]methanol

[3-(2-amino-6-chloroanilino)cyclohexyl]methanol (PubChem CID 112753261) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is [3-(2-amino-6-chloroanilino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(2-amino-6-chloroanilino)cyclohexyl]methanol
PubChem CID112753261
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name[3-(2-amino-6-chloroanilino)cyclohexyl]methanol
SMILESNc1cccc(Cl)c1NC1CCCC(CO)C1
InChIInChI=1S/C13H19ClN2O/c14-11-5-2-6-12(15)13(11)16-10-4-1-3-9(7-10)8-17/h2,5-6,9-10,16-17H,1,3-4,7-8,15H2
InChIKeyJEIDMNIEPMOMNI-UHFFFAOYSA-N
XLogP2.89
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [3-(2-amino-6-chloroanilino)cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(2-amino-6-chloroanilino)cyclohexyl]methanol?
The IUPAC name of [3-(2-amino-6-chloroanilino)cyclohexyl]methanol (CID 112753261) is [3-(2-amino-6-chloroanilino)cyclohexyl]methanol.
What is the SMILES notation for [3-(2-amino-6-chloroanilino)cyclohexyl]methanol?
The canonical SMILES for [3-(2-amino-6-chloroanilino)cyclohexyl]methanol is Nc1cccc(Cl)c1NC1CCCC(CO)C1.
What is the InChIKey of [3-(2-amino-6-chloroanilino)cyclohexyl]methanol?
The InChIKey is JEIDMNIEPMOMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c14-11-5-2-6-12(15)13(11)16-10-4-1-3-9(7-10)8-17/h2,5-6,9-10,16-17H,1,3-4,7-8,15H2.
What are the key properties of [3-(2-amino-6-chloroanilino)cyclohexyl]methanol?
[3-(2-amino-6-chloroanilino)cyclohexyl]methanol has a molecular weight of 254.76 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-amino-6-chloroanilino)cyclohexyl]methanol is sourced from PubChem (CID 112753261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).