1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine

C14H19F2N — CID 63794443

IUPAC1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(F)ccc1F)C1CCCC1
InChIInChI=1S/C14H19F2N/c1-10(11-4-2-3-5-11)17-9-12-8-13(15)6-7-14(12)16/h6-8,10-11,17H,2-5,9H2,1H3
InChIKeyHUAAZHOZYMZYQM-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.63
Rot. Bonds4

About 1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine

1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine (PubChem CID 63794443) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine
PubChem CID63794443
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(F)ccc1F)C1CCCC1
InChIInChI=1S/C14H19F2N/c1-10(11-4-2-3-5-11)17-9-12-8-13(15)6-7-14(12)16/h6-8,10-11,17H,2-5,9H2,1H3
InChIKeyHUAAZHOZYMZYQM-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-cyclopentyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 81394013
2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-fluorobenzonitrile
CID 107904611
1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115967889
3-[[[(1R)-1-cyclopentylethyl]amino]methyl]-4-fluorobenzoic acid
CID 107453171
3-[[[(1R)-1-cyclohexylethyl]amino]methyl]-4-fluorobenzonitrile
CID 81384437
(1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 81390721
2-[(1-cyclopentylethylamino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77029528
(1S)-1-cyclohexyl-N-[(2,5-dichlorophenyl)methyl]ethanamine
CID 81384496
N-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103944162
1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine
CID 65399564
(1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81384987
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43312604

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine?
The IUPAC name of 1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine (CID 63794443) is 1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine is CC(NCc1cc(F)ccc1F)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine?
The InChIKey is HUAAZHOZYMZYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-10(11-4-2-3-5-11)17-9-12-8-13(15)6-7-14(12)16/h6-8,10-11,17H,2-5,9H2,1H3.
What are the key properties of 1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine?
1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine has a molecular weight of 239.31 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 63794443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).