2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine

C15H22FNO — CID 104791607

IUPAC2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
SMILESCOc1cccc(CNCCC2CCCC2)c1F
InChIInChI=1S/C15H22FNO/c1-18-14-8-4-7-13(15(14)16)11-17-10-9-12-5-2-3-6-12/h4,7-8,12,17H,2-3,5-6,9-11H2,1H3
InChIKeyHTHCYIDRIOQDRW-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.50
Rot. Bonds6

About 2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine

2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine (PubChem CID 104791607) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
PubChem CID104791607
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
SMILESCOc1cccc(CNCCC2CCCC2)c1F
InChIInChI=1S/C15H22FNO/c1-18-14-8-4-7-13(15(14)16)11-17-10-9-12-5-2-3-6-12/h4,7-8,12,17H,2-3,5-6,9-11H2,1H3
InChIKeyHTHCYIDRIOQDRW-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyloxy-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 113453577
1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 115800128
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 104791705
3-[(2-cyclopentylethylamino)methyl]-2-fluorobenzonitrile
CID 107114440
1-(2-chlorocyclohexyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]methanamine
CID 113453890
4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
CID 115800308
2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 104792852
3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 106129789
N-[(2-fluoro-3-methoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 113453546
2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 104791760
1-(1-ethylpiperidin-4-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]methanamine
CID 104791714
4-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 104792773

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine (CID 104791607) is 2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine is COc1cccc(CNCCC2CCCC2)c1F.
What is the InChIKey of 2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
The InChIKey is HTHCYIDRIOQDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-18-14-8-4-7-13(15(14)16)11-17-10-9-12-5-2-3-6-12/h4,7-8,12,17H,2-3,5-6,9-11H2,1H3.
What are the key properties of 2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine has a molecular weight of 251.34 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 104791607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).