3-[(4-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine

C14H19ClFN — CID 114860029

IUPAC3-[(4-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCC(Cc2ccc(Cl)cc2F)C1
InChIInChI=1S/C14H19ClFN/c1-17-13-4-2-3-10(8-13)7-11-5-6-12(15)9-14(11)16/h5-6,9-10,13,17H,2-4,7-8H2,1H3
InChIKeyZRZHKMYXWUYEMY-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.80
Rot. Bonds3

About 3-[(4-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine

3-[(4-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 114860029) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 3-[(4-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name3-[(4-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
PubChem CID114860029
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name3-[(4-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCC(Cc2ccc(Cl)cc2F)C1
InChIInChI=1S/C14H19ClFN/c1-17-13-4-2-3-10(8-13)7-11-5-6-12(15)9-14(11)16/h5-6,9-10,13,17H,2-4,7-8H2,1H3
InChIKeyZRZHKMYXWUYEMY-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,4-difluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 64505887
3-[(3-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 102862060
3-[(4-chloro-3-fluorophenyl)methyl]-N-methylcycloheptan-1-amine
CID 107888168
3-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine
CID 103050406
1-chloro-3-[(5-chloro-2-fluorophenyl)methyl]cycloheptane
CID 103050549
3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 103041633
4-chloro-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene
CID 114857906
1-chloro-3-[(2,4-dichlorophenyl)methyl]cycloheptane
CID 64507512
1-[(5-tert-butyl-2-chlorocyclohexyl)methyl]-4-chloro-2-fluorobenzene
CID 114857917
N-[(4-chloro-2-fluorophenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 114842413
1-[(3-bromocyclohexyl)methyl]-2,4-dichlorobenzene
CID 64508500
4-chloro-1-[(2-chloro-5-propylcyclohexyl)methyl]-2-fluorobenzene
CID 114857916

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 3-[(4-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine (CID 114860029) is 3-[(4-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 3-[(4-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 3-[(4-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine is CNC1CCCC(Cc2ccc(Cl)cc2F)C1.
What is the InChIKey of 3-[(4-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is ZRZHKMYXWUYEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-17-13-4-2-3-10(8-13)7-11-5-6-12(15)9-14(11)16/h5-6,9-10,13,17H,2-4,7-8H2,1H3.
What are the key properties of 3-[(4-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine?
3-[(4-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 255.76 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 114860029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).