4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine

C13H16Cl2FN — CID 102620151

IUPAC4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
SMILESFc1ccc(Cl)c(CNC2CCC(Cl)CC2)c1
InChIInChI=1S/C13H16Cl2FN/c14-10-1-4-12(5-2-10)17-8-9-7-11(16)3-6-13(9)15/h3,6-7,10,12,17H,1-2,4-5,8H2
InChIKeyARHKBDIPHBPUJX-UHFFFAOYSA-N
MW276.18 g/mol
LogP4.12
Rot. Bonds3

About 4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine

4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine (PubChem CID 102620151) has the molecular formula C13H16Cl2FN and a molecular weight of 276.18 g/mol. Its IUPAC name is 4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
PubChem CID102620151
Molecular FormulaC13H16Cl2FN
Molecular Weight276.18 g/mol
Exact Mass275.06
IUPAC Name4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
SMILESFc1ccc(Cl)c(CNC2CCC(Cl)CC2)c1
InChIInChI=1S/C13H16Cl2FN/c14-10-1-4-12(5-2-10)17-8-9-7-11(16)3-6-13(9)15/h3,6-7,10,12,17H,1-2,4-5,8H2
InChIKeyARHKBDIPHBPUJX-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[(2-chloro-5-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 102616799
N-[(2-chloro-5-fluorophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114123298
N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 102615167
N-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine
CID 102620479
N-[(2-chloro-5-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 102615642
N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 28565044
(1S,2R,4S,5S)-6-[(2-chloro-5-fluorophenyl)methylamino]cyclohexane-1,2,3,4,5-pentol
CID 102478597
N-[(2-chloro-4-fluorophenyl)methyl]thian-4-amine
CID 115732355
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine
CID 102615898
N-[[2-(2-chloro-4-fluorophenyl)phenyl]methyl]cyclopropanamine
CID 115504969
4-[(2-bromo-5-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60810202
2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone
CID 102617613

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine (CID 102620151) is 4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine is Fc1ccc(Cl)c(CNC2CCC(Cl)CC2)c1.
What is the InChIKey of 4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine?
The InChIKey is ARHKBDIPHBPUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2FN/c14-10-1-4-12(5-2-10)17-8-9-7-11(16)3-6-13(9)15/h3,6-7,10,12,17H,1-2,4-5,8H2.
What are the key properties of 4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine?
4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine has a molecular weight of 276.18 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 102620151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).