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

C16H23ClFN — CID 105022589

IUPAC1-(4-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
SMILESCCNC(CCC1CCCC1)c1ccc(Cl)cc1F
InChIInChI=1S/C16H23ClFN/c1-2-19-16(10-7-12-5-3-4-6-12)14-9-8-13(17)11-15(14)18/h8-9,11-12,16,19H,2-7,10H2,1H3
InChIKeyAIOOTZMHUROMQV-UHFFFAOYSA-N
MW283.82 g/mol
LogP5.10
Rot. Bonds6

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

1-(4-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine (PubChem CID 105022589) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
PubChem CID105022589
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
SMILESCCNC(CCC1CCCC1)c1ccc(Cl)cc1F
InChIInChI=1S/C16H23ClFN/c1-2-19-16(10-7-12-5-3-4-6-12)14-9-8-13(17)11-15(14)18/h8-9,11-12,16,19H,2-7,10H2,1H3
InChIKeyAIOOTZMHUROMQV-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.82
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 63418000
3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 43561458
1-(3-chlorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 115811982
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 65164611
1-(4-bromo-3-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 106764781
1-(4-chloro-2,5-difluorophenyl)-3-cyclopropyl-N-ethylpropan-1-amine
CID 104994770
3-cyclopropyl-N-ethyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 104994836
1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine
CID 63417997
1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 79746697
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 78924376
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63082631
1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine
CID 114855618

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine (CID 105022589) is 1-(4-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine is CCNC(CCC1CCCC1)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine?
The InChIKey is AIOOTZMHUROMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-2-19-16(10-7-12-5-3-4-6-12)14-9-8-13(17)11-15(14)18/h8-9,11-12,16,19H,2-7,10H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine?
1-(4-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine has a molecular weight of 283.82 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine is sourced from PubChem (CID 105022589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).