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

C13H16Cl2FN — CID 68674183

IUPAC[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]methanamine
SMILESNCC1(c2ccc(Cl)c(Cl)c2)CCC(F)CC1
InChIInChI=1S/C13H16Cl2FN/c14-11-2-1-9(7-12(11)15)13(8-17)5-3-10(16)4-6-13/h1-2,7,10H,3-6,8,17H2
InChIKeyJPPPHDBXUMOMDK-UHFFFAOYSA-N
MW276.18 g/mol
LogP4.10
Rot. Bonds2

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

[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]methanamine (PubChem CID 68674183) has the molecular formula C13H16Cl2FN and a molecular weight of 276.18 g/mol. Its IUPAC name is [1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]methanamine
PubChem CID68674183
Molecular FormulaC13H16Cl2FN
Molecular Weight276.18 g/mol
Exact Mass275.06
IUPAC Name[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]methanamine
SMILESNCC1(c2ccc(Cl)c(Cl)c2)CCC(F)CC1
InChIInChI=1S/C13H16Cl2FN/c14-11-2-1-9(7-12(11)15)13(8-17)5-3-10(16)4-6-13/h1-2,7,10H,3-6,8,17H2
InChIKeyJPPPHDBXUMOMDK-UHFFFAOYSA-N
XLogP4.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-Dichlorophenethylamine
CID 217958
2-(2,3-Dichlorophenyl)ethanamine
CID 2734758
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
C-[3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2-yl]-methylamine
CID 20161638
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

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]methanamine?
The IUPAC name of [1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]methanamine (CID 68674183) is [1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]methanamine.
What is the SMILES notation for [1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]methanamine?
The canonical SMILES for [1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]methanamine is NCC1(c2ccc(Cl)c(Cl)c2)CCC(F)CC1.
What is the InChIKey of [1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]methanamine?
The InChIKey is JPPPHDBXUMOMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2FN/c14-11-2-1-9(7-12(11)15)13(8-17)5-3-10(16)4-6-13/h1-2,7,10H,3-6,8,17H2.
What are the key properties of [1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]methanamine?
[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]methanamine has a molecular weight of 276.18 g/mol, XLogP of 4.10, 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)-4-fluorocyclohexyl]methanamine is sourced from PubChem (CID 68674183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).