1-(4-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine

C15H22FN — CID 107411910

IUPAC1-(4-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine
SMILESCC1CCC(CNC(C)c2ccc(F)cc2)C1
InChIInChI=1S/C15H22FN/c1-11-3-4-13(9-11)10-17-12(2)14-5-7-15(16)8-6-14/h5-8,11-13,17H,3-4,9-10H2,1-2H3
InChIKeyBYMVQNZYDOYUMH-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.91
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine

1-(4-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine (PubChem CID 107411910) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine
PubChem CID107411910
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-(4-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine
SMILESCC1CCC(CNC(C)c2ccc(F)cc2)C1
InChIInChI=1S/C15H22FN/c1-11-3-4-13(9-11)10-17-12(2)14-5-7-15(16)8-6-14/h5-8,11-13,17H,3-4,9-10H2,1-2H3
InChIKeyBYMVQNZYDOYUMH-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107411471
1-(4-fluorophenyl)-2-[(3-methylcyclopentyl)methylamino]ethanol
CID 107412879
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81351515
1-(3,4-difluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 55192396
1-(4-fluorophenyl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 61013394
(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81369388
(1S)-1-(4-bromophenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81359380
(1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132261
N-[(4-methylcyclohexyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 63462112
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107412072
N-[(3-methylcyclopentyl)methyl]-1-(2-methylphenyl)ethanamine
CID 107411455
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 81347756

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine (CID 107411910) is 1-(4-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine is CC1CCC(CNC(C)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine?
The InChIKey is BYMVQNZYDOYUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11-3-4-13(9-11)10-17-12(2)14-5-7-15(16)8-6-14/h5-8,11-13,17H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine?
1-(4-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine has a molecular weight of 235.35 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 107411910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).