[1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentyl]methanamine

C14H19F2N — CID 65401068

IUPAC[1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentyl]methanamine
SMILESCC1CCC(CN)(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C14H19F2N/c1-10-4-5-14(7-10,9-17)8-11-2-3-12(15)6-13(11)16/h2-3,6,10H,4-5,7-9,17H2,1H3
InChIKeyVYJWHTGGRBFRQF-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.27
Rot. Bonds3

About [1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentyl]methanamine

[1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentyl]methanamine (PubChem CID 65401068) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is [1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentyl]methanamine
PubChem CID65401068
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name[1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentyl]methanamine
SMILESCC1CCC(CN)(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C14H19F2N/c1-10-4-5-14(7-10,9-17)8-11-2-3-12(15)6-13(11)16/h2-3,6,10H,4-5,7-9,17H2,1H3
InChIKeyVYJWHTGGRBFRQF-UHFFFAOYSA-N
XLogP3.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentyl]methanamine?
The IUPAC name of [1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentyl]methanamine (CID 65401068) is [1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentyl]methanamine.
What is the SMILES notation for [1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentyl]methanamine?
The canonical SMILES for [1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentyl]methanamine is CC1CCC(CN)(Cc2ccc(F)cc2F)C1.
What is the InChIKey of [1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentyl]methanamine?
The InChIKey is VYJWHTGGRBFRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-10-4-5-14(7-10,9-17)8-11-2-3-12(15)6-13(11)16/h2-3,6,10H,4-5,7-9,17H2,1H3.
What are the key properties of [1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentyl]methanamine?
[1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentyl]methanamine has a molecular weight of 239.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentyl]methanamine is sourced from PubChem (CID 65401068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).