2-(2-fluoro-3-methoxyphenyl)-N-methylcyclopentan-1-amine

C13H18FNO — CID 82811854

IUPAC2-(2-fluoro-3-methoxyphenyl)-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1c1cccc(OC)c1F
InChIInChI=1S/C13H18FNO/c1-15-11-7-3-5-9(11)10-6-4-8-12(16-2)13(10)14/h4,6,8-9,11,15H,3,5,7H2,1-2H3
InChIKeySEMOOAZWCDQQNR-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.69
Rot. Bonds3

About 2-(2-fluoro-3-methoxyphenyl)-N-methylcyclopentan-1-amine

2-(2-fluoro-3-methoxyphenyl)-N-methylcyclopentan-1-amine (PubChem CID 82811854) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-N-methylcyclopentan-1-amine
PubChem CID82811854
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1c1cccc(OC)c1F
InChIInChI=1S/C13H18FNO/c1-15-11-7-3-5-9(11)10-6-4-8-12(16-2)13(10)14/h4,6,8-9,11,15H,3,5,7H2,1-2H3
InChIKeySEMOOAZWCDQQNR-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-N-methylcyclopentan-1-amine?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-N-methylcyclopentan-1-amine (CID 82811854) is 2-(2-fluoro-3-methoxyphenyl)-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-N-methylcyclopentan-1-amine is CNC1CCCC1c1cccc(OC)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-N-methylcyclopentan-1-amine?
The InChIKey is SEMOOAZWCDQQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-15-11-7-3-5-9(11)10-6-4-8-12(16-2)13(10)14/h4,6,8-9,11,15H,3,5,7H2,1-2H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-N-methylcyclopentan-1-amine?
2-(2-fluoro-3-methoxyphenyl)-N-methylcyclopentan-1-amine has a molecular weight of 223.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-N-methylcyclopentan-1-amine is sourced from PubChem (CID 82811854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).