[2-[(2,6-difluorophenyl)methyl]cyclopentyl]methanamine

C13H17F2N — CID 114935146

IUPAC[2-[(2,6-difluorophenyl)methyl]cyclopentyl]methanamine
SMILESNCC1CCCC1Cc1c(F)cccc1F
InChIInChI=1S/C13H17F2N/c14-12-5-2-6-13(15)11(12)7-9-3-1-4-10(9)8-16/h2,5-6,9-10H,1,3-4,7-8,16H2
InChIKeyIZYRZPJMSQKEPQ-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.88
Rot. Bonds3

About [2-[(2,6-difluorophenyl)methyl]cyclopentyl]methanamine

[2-[(2,6-difluorophenyl)methyl]cyclopentyl]methanamine (PubChem CID 114935146) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is [2-[(2,6-difluorophenyl)methyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[(2,6-difluorophenyl)methyl]cyclopentyl]methanamine
PubChem CID114935146
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name[2-[(2,6-difluorophenyl)methyl]cyclopentyl]methanamine
SMILESNCC1CCCC1Cc1c(F)cccc1F
InChIInChI=1S/C13H17F2N/c14-12-5-2-6-13(15)11(12)7-9-3-1-4-10(9)8-16/h2,5-6,9-10H,1,3-4,7-8,16H2
InChIKeyIZYRZPJMSQKEPQ-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,6-difluorophenyl)methyl]cyclopentyl]methanamine?
The IUPAC name of [2-[(2,6-difluorophenyl)methyl]cyclopentyl]methanamine (CID 114935146) is [2-[(2,6-difluorophenyl)methyl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[(2,6-difluorophenyl)methyl]cyclopentyl]methanamine?
The canonical SMILES for [2-[(2,6-difluorophenyl)methyl]cyclopentyl]methanamine is NCC1CCCC1Cc1c(F)cccc1F.
What is the InChIKey of [2-[(2,6-difluorophenyl)methyl]cyclopentyl]methanamine?
The InChIKey is IZYRZPJMSQKEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c14-12-5-2-6-13(15)11(12)7-9-3-1-4-10(9)8-16/h2,5-6,9-10H,1,3-4,7-8,16H2.
What are the key properties of [2-[(2,6-difluorophenyl)methyl]cyclopentyl]methanamine?
[2-[(2,6-difluorophenyl)methyl]cyclopentyl]methanamine has a molecular weight of 225.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,6-difluorophenyl)methyl]cyclopentyl]methanamine is sourced from PubChem (CID 114935146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).