2-cyclopentyloxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine

C15H22FNO2 — CID 102876414

IUPAC2-cyclopentyloxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCCOC2CCCC2)c(F)c1
InChIInChI=1S/C15H22FNO2/c1-18-14-7-6-12(15(16)10-14)11-17-8-9-19-13-4-2-3-5-13/h6-7,10,13,17H,2-5,8-9,11H2,1H3
InChIKeyNILMHKCIJRTASS-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.88
Rot. Bonds7

About 2-cyclopentyloxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine

2-cyclopentyloxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine (PubChem CID 102876414) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-cyclopentyloxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyloxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
PubChem CID102876414
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name2-cyclopentyloxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCCOC2CCCC2)c(F)c1
InChIInChI=1S/C15H22FNO2/c1-18-14-7-6-12(15(16)10-14)11-17-8-9-19-13-4-2-3-5-13/h6-7,10,13,17H,2-5,8-9,11H2,1H3
InChIKeyNILMHKCIJRTASS-UHFFFAOYSA-N
XLogP2.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyloxy-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 55220336
2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876306
N-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine
CID 107814945
2-cyclohexyloxy-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115968035
N-[(2-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 68574125
N-[(2-fluoro-4-methoxyphenyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 102876221
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 102876689
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperidin-1-ylethanamine
CID 102876339
1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine
CID 102876292
2,2-dicyclopropyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876471
N-[(2-chloro-4-methylphenyl)methyl]-2-cyclopentyloxyethanamine
CID 106862669
3-[(2-cyclopentyloxyethylamino)methyl]-4-fluorobenzonitrile
CID 55261259

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-cyclopentyloxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine (CID 102876414) is 2-cyclopentyloxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-cyclopentyloxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-cyclopentyloxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine is COc1ccc(CNCCOC2CCCC2)c(F)c1.
What is the InChIKey of 2-cyclopentyloxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The InChIKey is NILMHKCIJRTASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-18-14-7-6-12(15(16)10-14)11-17-8-9-19-13-4-2-3-5-13/h6-7,10,13,17H,2-5,8-9,11H2,1H3.
What are the key properties of 2-cyclopentyloxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
2-cyclopentyloxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine has a molecular weight of 267.34 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 102876414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).