1-[(2,5-difluorophenyl)methyl]-3-methylcyclopentan-1-amine

C13H17F2N — CID 64513632

IUPAC1-[(2,5-difluorophenyl)methyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(N)(Cc2cc(F)ccc2F)C1
InChIInChI=1S/C13H17F2N/c1-9-4-5-13(16,7-9)8-10-6-11(14)2-3-12(10)15/h2-3,6,9H,4-5,7-8,16H2,1H3
InChIKeyPIWUYABBYHIQIJ-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.02
Rot. Bonds2

About 1-[(2,5-difluorophenyl)methyl]-3-methylcyclopentan-1-amine

1-[(2,5-difluorophenyl)methyl]-3-methylcyclopentan-1-amine (PubChem CID 64513632) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-3-methylcyclopentan-1-amine
PubChem CID64513632
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name1-[(2,5-difluorophenyl)methyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(N)(Cc2cc(F)ccc2F)C1
InChIInChI=1S/C13H17F2N/c1-9-4-5-13(16,7-9)8-10-6-11(14)2-3-12(10)15/h2-3,6,9H,4-5,7-8,16H2,1H3
InChIKeyPIWUYABBYHIQIJ-UHFFFAOYSA-N
XLogP3.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64514094
1-[(2-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64513406
1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 62595059
1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 102617497
1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080003
1-(2,5-difluorophenyl)-3-methylcyclopentan-1-amine
CID 64515768
1,4-difluoro-2-[(1-methoxy-4-methylcyclohexyl)methyl]benzene
CID 142809976
4-[(2,5-difluorophenyl)methyl]oxan-4-amine
CID 63220413
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114853407
1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 103047881
1-[(4-chlorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64516003
1-[(2-chloro-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080210

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3-methylcyclopentan-1-amine?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3-methylcyclopentan-1-amine (CID 64513632) is 1-[(2,5-difluorophenyl)methyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-3-methylcyclopentan-1-amine is CC1CCC(N)(Cc2cc(F)ccc2F)C1.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-3-methylcyclopentan-1-amine?
The InChIKey is PIWUYABBYHIQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-9-4-5-13(16,7-9)8-10-6-11(14)2-3-12(10)15/h2-3,6,9H,4-5,7-8,16H2,1H3.
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-3-methylcyclopentan-1-amine?
1-[(2,5-difluorophenyl)methyl]-3-methylcyclopentan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 64513632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).