3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclohexan-1-ol

C13H17Cl2NO — CID 58954826

IUPAC3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclohexan-1-ol
SMILESNCC1(c2ccc(Cl)c(Cl)c2)CCCC(O)C1
InChIInChI=1S/C13H17Cl2NO/c14-11-4-3-9(6-12(11)15)13(8-16)5-1-2-10(17)7-13/h3-4,6,10,17H,1-2,5,7-8,16H2
InChIKeyPXJDTWINCCFEMX-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.12
Rot. Bonds2

About 3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclohexan-1-ol

3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclohexan-1-ol (PubChem CID 58954826) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclohexan-1-ol
PubChem CID58954826
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclohexan-1-ol
SMILESNCC1(c2ccc(Cl)c(Cl)c2)CCCC(O)C1
InChIInChI=1S/C13H17Cl2NO/c14-11-4-3-9(6-12(11)15)13(8-16)5-1-2-10(17)7-13/h3-4,6,10,17H,1-2,5,7-8,16H2
InChIKeyPXJDTWINCCFEMX-UHFFFAOYSA-N
XLogP3.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclohexan-1-ol 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-(aminomethyl)-3-(3,4-dichlorophenyl)cyclohexan-1-ol?
The IUPAC name of 3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclohexan-1-ol (CID 58954826) is 3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclohexan-1-ol?
The canonical SMILES for 3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclohexan-1-ol is NCC1(c2ccc(Cl)c(Cl)c2)CCCC(O)C1.
What is the InChIKey of 3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclohexan-1-ol?
The InChIKey is PXJDTWINCCFEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-11-4-3-9(6-12(11)15)13(8-16)5-1-2-10(17)7-13/h3-4,6,10,17H,1-2,5,7-8,16H2.
What are the key properties of 3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclohexan-1-ol?
3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclohexan-1-ol has a molecular weight of 274.19 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclohexan-1-ol is sourced from PubChem (CID 58954826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).