2-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]cyclohexan-1-amine

C14H18ClF2N — CID 106365209

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

About 2-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]cyclohexan-1-amine

2-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]cyclohexan-1-amine (PubChem CID 106365209) has the molecular formula C14H18ClF2N and a molecular weight of 273.75 g/mol. Its IUPAC name is 2-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]cyclohexan-1-amine
PubChem CID106365209
Molecular FormulaC14H18ClF2N
Molecular Weight273.75 g/mol
Exact Mass273.11
IUPAC Name2-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]cyclohexan-1-amine
SMILESFc1ccc(F)c(CNC2CCCCC2CCl)c1
InChIInChI=1S/C14H18ClF2N/c15-8-10-3-1-2-4-14(10)18-9-11-7-12(16)5-6-13(11)17/h5-7,10,14,18H,1-4,8-9H2
InChIKeyFSANAIALNAAUSH-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-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine
CID 106365303
N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43709240
N-[(5-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 106365036
N-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine
CID 106365244
2-(chloromethyl)-N-[(3-fluorophenyl)methyl]cyclohexan-1-amine
CID 106365254
N-[(4-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 106365064
2-[[(2-ethylcyclohexyl)amino]methyl]-4-fluorophenol
CID 103948073
N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide
CID 106365784
N-[(2,5-difluorophenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63793739
N-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543838
1-chloro-2-[(2,5-difluorophenyl)methyl]cycloheptane
CID 55219699
3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol
CID 43751094

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]cyclohexan-1-amine (CID 106365209) is 2-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]cyclohexan-1-amine is Fc1ccc(F)c(CNC2CCCCC2CCl)c1.
What is the InChIKey of 2-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]cyclohexan-1-amine?
The InChIKey is FSANAIALNAAUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2N/c15-8-10-3-1-2-4-14(10)18-9-11-7-12(16)5-6-13(11)17/h5-7,10,14,18H,1-4,8-9H2.
What are the key properties of 2-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]cyclohexan-1-amine?
2-(chloromethyl)-N-[(2,5-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-[(2,5-difluorophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 106365209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).