2-[(2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine

C13H18FN — CID 61381499

IUPAC2-[(2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1Cc1ccccc1F
InChIInChI=1S/C13H18FN/c1-15-13-8-4-6-11(13)9-10-5-2-3-7-12(10)14/h2-3,5,7,11,13,15H,4,6,8-9H2,1H3
InChIKeyXRTYKKSYTFXCAK-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.76
Rot. Bonds3

About 2-[(2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine

2-[(2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine (PubChem CID 61381499) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
PubChem CID61381499
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name2-[(2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1Cc1ccccc1F
InChIInChI=1S/C13H18FN/c1-15-13-8-4-6-11(13)9-10-5-2-3-7-12(10)14/h2-3,5,7,11,13,15H,4,6,8-9H2,1H3
InChIKeyXRTYKKSYTFXCAK-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine (CID 61381499) is 2-[(2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine is CNC1CCCC1Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine?
The InChIKey is XRTYKKSYTFXCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-15-13-8-4-6-11(13)9-10-5-2-3-7-12(10)14/h2-3,5,7,11,13,15H,4,6,8-9H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine?
2-[(2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 61381499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).