[1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]methanamine

C13H15Cl2F2N — CID 58954972

IUPAC[1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]methanamine
SMILESNCC1(c2ccc(Cl)c(Cl)c2)CCCC(F)(F)C1
InChIInChI=1S/C13H15Cl2F2N/c14-10-3-2-9(6-11(10)15)12(8-18)4-1-5-13(16,17)7-12/h2-3,6H,1,4-5,7-8,18H2
InChIKeySVGMBLIFYWKNDC-UHFFFAOYSA-N
MW294.17 g/mol
LogP4.40
Rot. Bonds2

About [1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]methanamine

[1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]methanamine (PubChem CID 58954972) has the molecular formula C13H15Cl2F2N and a molecular weight of 294.17 g/mol. Its IUPAC name is [1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]methanamine
PubChem CID58954972
Molecular FormulaC13H15Cl2F2N
Molecular Weight294.17 g/mol
Exact Mass293.05
IUPAC Name[1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]methanamine
SMILESNCC1(c2ccc(Cl)c(Cl)c2)CCCC(F)(F)C1
InChIInChI=1S/C13H15Cl2F2N/c14-10-3-2-9(6-11(10)15)12(8-18)4-1-5-13(16,17)7-12/h2-3,6H,1,4-5,7-8,18H2
InChIKeySVGMBLIFYWKNDC-UHFFFAOYSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

3,4-Dichlorophenethylamine
CID 217958
1-(1-(3,4-Dichlorophenyl)cyclohexyl)-3-methylbutan-1-amine
CID 24860903
N-((1-(3,4-dichlorophenyl)cyclohexyl)methyl)-N-methylethanamine
CID 53317143
n-((1-(3,4-Dichlorophenyl)cyclohexyl)methyl)-n-ethylethanamine
CID 53318434
1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,N-dimethylmethanamine
CID 53321058
3,4-Dichloro-alpha-methylbenzeneethanamine
CID 17535
[1-(4-Chlorophenyl)cyclohexyl]methanamine
CID 12335824
1-(1-(3,4-Dichlorophenyl)cyclohexyl)propan-1-amine
CID 24860831
(1-(3,4-Dichlorophenyl)Cycloheptyl)Methanamine
CID 24860902
1-(1-(3,4-Dichlorophenyl)cyclohexyl)ethanamine
CID 24860904
(1-(3,4-Dichlorophenyl)Cyclohexyl)Methanamine
CID 43164282
1-(1-(3,4-Dichlorophenyl)cyclohexyl)-n-methylmethanamine
CID 51346818

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]methanamine?
The IUPAC name of [1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]methanamine (CID 58954972) is [1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]methanamine.
What is the SMILES notation for [1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]methanamine?
The canonical SMILES for [1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]methanamine is NCC1(c2ccc(Cl)c(Cl)c2)CCCC(F)(F)C1.
What is the InChIKey of [1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]methanamine?
The InChIKey is SVGMBLIFYWKNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2F2N/c14-10-3-2-9(6-11(10)15)12(8-18)4-1-5-13(16,17)7-12/h2-3,6H,1,4-5,7-8,18H2.
What are the key properties of [1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]methanamine?
[1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]methanamine has a molecular weight of 294.17 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]methanamine is sourced from PubChem (CID 58954972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).