N-ethyl-2-(3-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine

C16H24FN — CID 65415597

IUPACN-ethyl-2-(3-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1)C1CCC(C)C1
InChIInChI=1S/C16H24FN/c1-3-18-16(14-8-7-12(2)9-14)11-13-5-4-6-15(17)10-13/h4-6,10,12,14,16,18H,3,7-9,11H2,1-2H3
InChIKeyXYFBJHRBIHHBQB-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.78
Rot. Bonds5

About N-ethyl-2-(3-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine

N-ethyl-2-(3-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine (PubChem CID 65415597) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-ethyl-2-(3-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine
PubChem CID65415597
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-ethyl-2-(3-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1)C1CCC(C)C1
InChIInChI=1S/C16H24FN/c1-3-18-16(14-8-7-12(2)9-14)11-13-5-4-6-15(17)10-13/h4-6,10,12,14,16,18H,3,7-9,11H2,1-2H3
InChIKeyXYFBJHRBIHHBQB-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-(3-fluorophenyl)-1-(thiolan-3-yl)ethanamine
CID 105095868
N-ethyl-2-(4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 63415167
1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine
CID 116722529
N-[2-(3-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 61064174
N-ethyl-2-(4-ethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415397
N-ethyl-1-(3-ethylcyclopentyl)-2-(3-methylphenyl)ethanamine
CID 65409853
N-[2-(2,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]propan-1-amine
CID 65414201
3-cyclopropyl-1-(3-fluorophenyl)-N-propylbutan-2-amine
CID 83154233
1-(3,5-dimethylcyclohexyl)-2-(3-fluorophenyl)ethanol
CID 64731491
N-ethyl-2-(3-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105096166
N-ethyl-1-(3-ethylcyclopentyl)-2-phenylethanamine
CID 65412003
N-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine
CID 116544556

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine?
The IUPAC name of N-ethyl-2-(3-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine (CID 65415597) is N-ethyl-2-(3-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine is CCNC(Cc1cccc(F)c1)C1CCC(C)C1.
What is the InChIKey of N-ethyl-2-(3-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine?
The InChIKey is XYFBJHRBIHHBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-3-18-16(14-8-7-12(2)9-14)11-13-5-4-6-15(17)10-13/h4-6,10,12,14,16,18H,3,7-9,11H2,1-2H3.
What are the key properties of N-ethyl-2-(3-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine?
N-ethyl-2-(3-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine has a molecular weight of 249.37 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine is sourced from PubChem (CID 65415597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).