3-(4-chloro-2-fluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine

C16H23ClFN — CID 114850824

IUPAC3-(4-chloro-2-fluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine
SMILESCCNC(CCc1ccc(Cl)cc1F)C1CCCC1
InChIInChI=1S/C16H23ClFN/c1-2-19-16(13-5-3-4-6-13)10-8-12-7-9-14(17)11-15(12)18/h7,9,11,13,16,19H,2-6,8,10H2,1H3
InChIKeyWESWYKXYFVUUQO-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.58
Rot. Bonds6

About 3-(4-chloro-2-fluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine

3-(4-chloro-2-fluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine (PubChem CID 114850824) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine
PubChem CID114850824
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name3-(4-chloro-2-fluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine
SMILESCCNC(CCc1ccc(Cl)cc1F)C1CCCC1
InChIInChI=1S/C16H23ClFN/c1-2-19-16(13-5-3-4-6-13)10-8-12-7-9-14(17)11-15(12)18/h7,9,11,13,16,19H,2-6,8,10H2,1H3
InChIKeyWESWYKXYFVUUQO-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine
CID 114346516
1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 65398954
1-cyclopropyl-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63355250
1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-1-amine
CID 113390146
3-(3-bromo-2,6-difluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine
CID 106264660
1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-ethylpropan-1-amine
CID 107514365
3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-N-ethylpropan-1-amine
CID 107892041
1-cyclopropyl-3-(2,4-dichlorophenyl)-N-propylpropan-1-amine
CID 63401428
2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 103039852
2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine
CID 115983923
2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine
CID 61079872
2-(5-chloro-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 103048770

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine (CID 114850824) is 3-(4-chloro-2-fluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine is CCNC(CCc1ccc(Cl)cc1F)C1CCCC1.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine?
The InChIKey is WESWYKXYFVUUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-2-19-16(13-5-3-4-6-13)10-8-12-7-9-14(17)11-15(12)18/h7,9,11,13,16,19H,2-6,8,10H2,1H3.
What are the key properties of 3-(4-chloro-2-fluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine?
3-(4-chloro-2-fluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine has a molecular weight of 283.82 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine is sourced from PubChem (CID 114850824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).