1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine

C17H26FN — CID 114346516

IUPAC1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine
SMILESCCNC(CCc1ccc(F)cc1C)C1CCCC1
InChIInChI=1S/C17H26FN/c1-3-19-17(15-6-4-5-7-15)11-9-14-8-10-16(18)12-13(14)2/h8,10,12,15,17,19H,3-7,9,11H2,1-2H3
InChIKeyTWVQWHLEIYKTJB-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.24
Rot. Bonds6

About 1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine

1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine (PubChem CID 114346516) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is 1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine
PubChem CID114346516
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine
SMILESCCNC(CCc1ccc(F)cc1C)C1CCCC1
InChIInChI=1S/C17H26FN/c1-3-19-17(15-6-4-5-7-15)11-9-14-8-10-16(18)12-13(14)2/h8,10,12,15,17,19H,3-7,9,11H2,1-2H3
InChIKeyTWVQWHLEIYKTJB-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347992
1-cyclohexyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373724
1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374209
3-(4-chloro-2-fluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine
CID 114850824
N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348004
1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-ethylpropan-1-amine
CID 107514365
1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373730
2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine
CID 64986283
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105188273
1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-1-amine
CID 113390146
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107191349
1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 65018192

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine?
The IUPAC name of 1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine (CID 114346516) is 1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine?
The canonical SMILES for 1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine is CCNC(CCc1ccc(F)cc1C)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine?
The InChIKey is TWVQWHLEIYKTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-3-19-17(15-6-4-5-7-15)11-9-14-8-10-16(18)12-13(14)2/h8,10,12,15,17,19H,3-7,9,11H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine?
1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine is sourced from PubChem (CID 114346516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).