2-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine

C14H18ClF2N — CID 106365303

IUPAC2-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine
SMILESFc1ccc(CNC2CCCCC2CCl)c(F)c1
InChIInChI=1S/C14H18ClF2N/c15-8-10-3-1-2-4-14(10)18-9-11-5-6-12(16)7-13(11)17/h5-7,10,14,18H,1-4,8-9H2
InChIKeyOAMXEAWBTHTWFC-UHFFFAOYSA-N
MW273.75 g/mol
LogP3.85
Rot. Bonds4

About 2-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine

2-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine (PubChem CID 106365303) has the molecular formula C14H18ClF2N and a molecular weight of 273.75 g/mol. Its IUPAC name is 2-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine
PubChem CID106365303
Molecular FormulaC14H18ClF2N
Molecular Weight273.75 g/mol
Exact Mass273.11
IUPAC Name2-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine
SMILESFc1ccc(CNC2CCCCC2CCl)c(F)c1
InChIInChI=1S/C14H18ClF2N/c15-8-10-3-1-2-4-14(10)18-9-11-5-6-12(16)7-13(11)17/h5-7,10,14,18H,1-4,8-9H2
InChIKeyOAMXEAWBTHTWFC-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.75
LogP ≤ 53.85
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

2-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]cyclohexan-1-amine
CID 106365209
N-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine
CID 106365244
N-[(4-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 106365064
2-tert-butyl-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine
CID 43433182
N-[(5-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 106365036
2-(chloromethyl)-N-[(3-fluorophenyl)methyl]cyclohexan-1-amine
CID 106365254
N-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-amine
CID 62223825
N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43709240
2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62197668
N-[(2,4-difluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908869
2-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 102876314
2-[[(2-ethylcyclohexyl)amino]methyl]-4-fluorophenol
CID 103948073

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine (CID 106365303) is 2-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine is Fc1ccc(CNC2CCCCC2CCl)c(F)c1.
What is the InChIKey of 2-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine?
The InChIKey is OAMXEAWBTHTWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2N/c15-8-10-3-1-2-4-14(10)18-9-11-5-6-12(16)7-13(11)17/h5-7,10,14,18H,1-4,8-9H2.
What are the key properties of 2-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine?
2-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine has a molecular weight of 273.75 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 106365303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).