4-[(2-amino-6-chloroanilino)methyl]cyclohexan-1-ol

C13H19ClN2O — CID 106120080

IUPAC4-[(2-amino-6-chloroanilino)methyl]cyclohexan-1-ol
SMILESNc1cccc(Cl)c1NCC1CCC(O)CC1
InChIInChI=1S/C13H19ClN2O/c14-11-2-1-3-12(15)13(11)16-8-9-4-6-10(17)7-5-9/h1-3,9-10,16-17H,4-8,15H2
InChIKeyAUUDIYDHTCVJHE-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.89
Rot. Bonds3

About 4-[(2-amino-6-chloroanilino)methyl]cyclohexan-1-ol

4-[(2-amino-6-chloroanilino)methyl]cyclohexan-1-ol (PubChem CID 106120080) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-[(2-amino-6-chloroanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2-amino-6-chloroanilino)methyl]cyclohexan-1-ol
PubChem CID106120080
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-[(2-amino-6-chloroanilino)methyl]cyclohexan-1-ol
SMILESNc1cccc(Cl)c1NCC1CCC(O)CC1
InChIInChI=1S/C13H19ClN2O/c14-11-2-1-3-12(15)13(11)16-8-9-4-6-10(17)7-5-9/h1-3,9-10,16-17H,4-8,15H2
InChIKeyAUUDIYDHTCVJHE-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': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-6-chloroanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(2-amino-6-chloroanilino)methyl]cyclohexan-1-ol (CID 106120080) is 4-[(2-amino-6-chloroanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2-amino-6-chloroanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(2-amino-6-chloroanilino)methyl]cyclohexan-1-ol is Nc1cccc(Cl)c1NCC1CCC(O)CC1.
What is the InChIKey of 4-[(2-amino-6-chloroanilino)methyl]cyclohexan-1-ol?
The InChIKey is AUUDIYDHTCVJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c14-11-2-1-3-12(15)13(11)16-8-9-4-6-10(17)7-5-9/h1-3,9-10,16-17H,4-8,15H2.
What are the key properties of 4-[(2-amino-6-chloroanilino)methyl]cyclohexan-1-ol?
4-[(2-amino-6-chloroanilino)methyl]cyclohexan-1-ol 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 4-[(2-amino-6-chloroanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106120080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).