3-[(2,4-difluorophenyl)methyl]-N-methylcyclopentan-1-amine

C13H17F2N — CID 64505887

IUPAC3-[(2,4-difluorophenyl)methyl]-N-methylcyclopentan-1-amine
SMILESCNC1CCC(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C13H17F2N/c1-16-12-5-2-9(7-12)6-10-3-4-11(14)8-13(10)15/h3-4,8-9,12,16H,2,5-7H2,1H3
InChIKeyJJLWKWZCRXVMLK-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.90
Rot. Bonds3

About 3-[(2,4-difluorophenyl)methyl]-N-methylcyclopentan-1-amine

3-[(2,4-difluorophenyl)methyl]-N-methylcyclopentan-1-amine (PubChem CID 64505887) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methyl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methyl]-N-methylcyclopentan-1-amine
PubChem CID64505887
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name3-[(2,4-difluorophenyl)methyl]-N-methylcyclopentan-1-amine
SMILESCNC1CCC(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C13H17F2N/c1-16-12-5-2-9(7-12)6-10-3-4-11(14)8-13(10)15/h3-4,8-9,12,16H,2,5-7H2,1H3
InChIKeyJJLWKWZCRXVMLK-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 114860029
1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016867
3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 103041633
1-[(2,4-difluorophenyl)methyl]-N,2-dimethylpiperidin-4-amine
CID 62228318
9-[(2,4-difluorophenyl)methyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712049
4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313669
4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926377
1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine
CID 79459161
1-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene
CID 64908376
1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 64986277
2-[(3-chlorocyclopentyl)methyl]-4-fluoro-1-methylbenzene
CID 105375583
3-[(3-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 102862060

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methyl]-N-methylcyclopentan-1-amine?
The IUPAC name of 3-[(2,4-difluorophenyl)methyl]-N-methylcyclopentan-1-amine (CID 64505887) is 3-[(2,4-difluorophenyl)methyl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methyl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 3-[(2,4-difluorophenyl)methyl]-N-methylcyclopentan-1-amine is CNC1CCC(Cc2ccc(F)cc2F)C1.
What is the InChIKey of 3-[(2,4-difluorophenyl)methyl]-N-methylcyclopentan-1-amine?
The InChIKey is JJLWKWZCRXVMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-16-12-5-2-9(7-12)6-10-3-4-11(14)8-13(10)15/h3-4,8-9,12,16H,2,5-7H2,1H3.
What are the key properties of 3-[(2,4-difluorophenyl)methyl]-N-methylcyclopentan-1-amine?
3-[(2,4-difluorophenyl)methyl]-N-methylcyclopentan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methyl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 64505887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).