N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylcyclopentyl)ethanamine

C17H26FN — CID 107191349

IUPACN-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylcyclopentyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1C)C1CCCC1C
InChIInChI=1S/C17H26FN/c1-4-19-17(16-7-5-6-12(16)2)11-14-8-9-15(18)10-13(14)3/h8-10,12,16-17,19H,4-7,11H2,1-3H3
InChIKeyOCRBTEPXAWGWLC-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.09
Rot. Bonds5

About N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylcyclopentyl)ethanamine

N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylcyclopentyl)ethanamine (PubChem CID 107191349) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylcyclopentyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylcyclopentyl)ethanamine
PubChem CID107191349
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC NameN-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylcyclopentyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1C)C1CCCC1C
InChIInChI=1S/C17H26FN/c1-4-19-17(16-7-5-6-12(16)2)11-14-8-9-15(18)10-13(14)3/h8-10,12,16-17,19H,4-7,11H2,1-3H3
InChIKeyOCRBTEPXAWGWLC-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dimethylphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
CID 107179634
N-[2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107188252
N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348004
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347992
N-[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107187960
1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine
CID 114346516
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105188273
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
CID 107892586
1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373730
[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]hydrazine
CID 107193433
1-cyclohexyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373724
1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374209

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylcyclopentyl)ethanamine?
The IUPAC name of N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylcyclopentyl)ethanamine (CID 107191349) is N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylcyclopentyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylcyclopentyl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylcyclopentyl)ethanamine is CCNC(Cc1ccc(F)cc1C)C1CCCC1C.
What is the InChIKey of N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylcyclopentyl)ethanamine?
The InChIKey is OCRBTEPXAWGWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-4-19-17(16-7-5-6-12(16)2)11-14-8-9-15(18)10-13(14)3/h8-10,12,16-17,19H,4-7,11H2,1-3H3.
What are the key properties of N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylcyclopentyl)ethanamine?
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylcyclopentyl)ethanamine has a molecular weight of 263.40 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylcyclopentyl)ethanamine is sourced from PubChem (CID 107191349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).