2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine

C15H22FN — CID 62601380

IUPAC2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
SMILESCNC(CC1CCCC1)c1ccc(F)c(C)c1
InChIInChI=1S/C15H22FN/c1-11-9-13(7-8-14(11)16)15(17-2)10-12-5-3-4-6-12/h7-9,12,15,17H,3-6,10H2,1-2H3
InChIKeyVJEYJSTVGYHOMK-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.97
Rot. Bonds4

About 2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine

2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine (PubChem CID 62601380) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
PubChem CID62601380
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
SMILESCNC(CC1CCCC1)c1ccc(F)c(C)c1
InChIInChI=1S/C15H22FN/c1-11-9-13(7-8-14(11)16)15(17-2)10-12-5-3-4-6-12/h7-9,12,15,17H,3-6,10H2,1-2H3
InChIKeyVJEYJSTVGYHOMK-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine (CID 62601380) is 2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine is CNC(CC1CCCC1)c1ccc(F)c(C)c1.
What is the InChIKey of 2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine?
The InChIKey is VJEYJSTVGYHOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11-9-13(7-8-14(11)16)15(17-2)10-12-5-3-4-6-12/h7-9,12,15,17H,3-6,10H2,1-2H3.
What are the key properties of 2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine?
2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine has a molecular weight of 235.35 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 62601380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).