4-(2-amino-4-chloroanilino)cyclohexan-1-ol

C12H17ClN2O — CID 18509767

IUPAC4-(2-amino-4-chloroanilino)cyclohexan-1-ol
SMILESNc1cc(Cl)ccc1NC1CCC(O)CC1
InChIInChI=1S/C12H17ClN2O/c13-8-1-6-12(11(14)7-8)15-9-2-4-10(16)5-3-9/h1,6-7,9-10,15-16H,2-5,14H2
InChIKeyCYNILYKQSBINIV-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.64
Rot. Bonds2

About 4-(2-amino-4-chloroanilino)cyclohexan-1-ol

4-(2-amino-4-chloroanilino)cyclohexan-1-ol (PubChem CID 18509767) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-(2-amino-4-chloroanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-amino-4-chloroanilino)cyclohexan-1-ol
PubChem CID18509767
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-(2-amino-4-chloroanilino)cyclohexan-1-ol
SMILESNc1cc(Cl)ccc1NC1CCC(O)CC1
InChIInChI=1S/C12H17ClN2O/c13-8-1-6-12(11(14)7-8)15-9-2-4-10(16)5-3-9/h1,6-7,9-10,15-16H,2-5,14H2
InChIKeyCYNILYKQSBINIV-UHFFFAOYSA-N
XLogP2.64
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.64
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 4-(2-amino-4-chloroanilino)cyclohexan-1-ol?
The IUPAC name of 4-(2-amino-4-chloroanilino)cyclohexan-1-ol (CID 18509767) is 4-(2-amino-4-chloroanilino)cyclohexan-1-ol.
What is the SMILES notation for 4-(2-amino-4-chloroanilino)cyclohexan-1-ol?
The canonical SMILES for 4-(2-amino-4-chloroanilino)cyclohexan-1-ol is Nc1cc(Cl)ccc1NC1CCC(O)CC1.
What is the InChIKey of 4-(2-amino-4-chloroanilino)cyclohexan-1-ol?
The InChIKey is CYNILYKQSBINIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-8-1-6-12(11(14)7-8)15-9-2-4-10(16)5-3-9/h1,6-7,9-10,15-16H,2-5,14H2.
What are the key properties of 4-(2-amino-4-chloroanilino)cyclohexan-1-ol?
4-(2-amino-4-chloroanilino)cyclohexan-1-ol has a molecular weight of 240.73 g/mol, XLogP of 2.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-chloroanilino)cyclohexan-1-ol is sourced from PubChem (CID 18509767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).