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

C14H18Cl2FN — CID 106365244

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine
SMILESFc1ccc(CNC2CCCCC2CCl)c(Cl)c1
InChIInChI=1S/C14H18Cl2FN/c15-8-10-3-1-2-4-14(10)18-9-11-5-6-12(17)7-13(11)16/h5-7,10,14,18H,1-4,8-9H2
InChIKeyYNMDHNWGFBKWRO-UHFFFAOYSA-N
MW290.21 g/mol
LogP4.37
Rot. Bonds4

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

N-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine (PubChem CID 106365244) has the molecular formula C14H18Cl2FN and a molecular weight of 290.21 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine
PubChem CID106365244
Molecular FormulaC14H18Cl2FN
Molecular Weight290.21 g/mol
Exact Mass289.08
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine
SMILESFc1ccc(CNC2CCCCC2CCl)c(Cl)c1
InChIInChI=1S/C14H18Cl2FN/c15-8-10-3-1-2-4-14(10)18-9-11-5-6-12(17)7-13(11)16/h5-7,10,14,18H,1-4,8-9H2
InChIKeyYNMDHNWGFBKWRO-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 54.37
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
2-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]cyclohexan-1-amine
CID 106365209
2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol
CID 62359472
N-[(5-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 106365036
N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 28565044
2-(chloromethyl)-N-[(3-fluorophenyl)methyl]cyclohexan-1-amine
CID 106365254
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103793218
N-[(4-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 106365064
N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43709240
N-[(2-chloro-4-fluorophenyl)methyl]thian-4-amine
CID 115732355
2-[[(2-ethylcyclohexyl)amino]methyl]-4-fluorophenol
CID 103948073
[2-[(4-fluoro-2-methylphenyl)methylamino]cyclopentyl]methanol
CID 113243356

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine (CID 106365244) is N-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine is Fc1ccc(CNC2CCCCC2CCl)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine?
The InChIKey is YNMDHNWGFBKWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2FN/c15-8-10-3-1-2-4-14(10)18-9-11-5-6-12(17)7-13(11)16/h5-7,10,14,18H,1-4,8-9H2.
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine?
N-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine has a molecular weight of 290.21 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine is sourced from PubChem (CID 106365244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).