3-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol

C16H23Cl2NO — CID 103785894

IUPAC3-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol
SMILESCCC(NCC1CCCC(O)C1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2NO/c1-2-16(14-7-6-12(17)9-15(14)18)19-10-11-4-3-5-13(20)8-11/h6-7,9,11,13,16,19-20H,2-5,8,10H2,1H3
InChIKeyATXLUHPVWJLBCD-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.59
Rot. Bonds5

About 3-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol

3-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol (PubChem CID 103785894) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 3-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol
PubChem CID103785894
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name3-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol
SMILESCCC(NCC1CCCC(O)C1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2NO/c1-2-16(14-7-6-12(17)9-15(14)18)19-10-11-4-3-5-13(20)8-11/h6-7,9,11,13,16,19-20H,2-5,8,10H2,1H3
InChIKeyATXLUHPVWJLBCD-UHFFFAOYSA-N
XLogP4.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[1-(2,4-dichlorophenyl)propylamino]methyl]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-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol (CID 103785894) is 3-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol is CCC(NCC1CCCC(O)C1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol?
The InChIKey is ATXLUHPVWJLBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-2-16(14-7-6-12(17)9-15(14)18)19-10-11-4-3-5-13(20)8-11/h6-7,9,11,13,16,19-20H,2-5,8,10H2,1H3.
What are the key properties of 3-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol?
3-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol has a molecular weight of 316.27 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103785894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).