3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-N-ethylpropan-1-amine

C14H19ClFN — CID 107892041

IUPAC3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-N-ethylpropan-1-amine
SMILESCCNC(CCc1ccc(Cl)c(F)c1)C1CC1
InChIInChI=1S/C14H19ClFN/c1-2-17-14(11-5-6-11)8-4-10-3-7-12(15)13(16)9-10/h3,7,9,11,14,17H,2,4-6,8H2,1H3
InChIKeyGXVDKHVWMUNCJL-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.80
Rot. Bonds6

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

3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-N-ethylpropan-1-amine (PubChem CID 107892041) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-N-ethylpropan-1-amine
PubChem CID107892041
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-N-ethylpropan-1-amine
SMILESCCNC(CCc1ccc(Cl)c(F)c1)C1CC1
InChIInChI=1S/C14H19ClFN/c1-2-17-14(11-5-6-11)8-4-10-3-7-12(15)13(16)9-10/h3,7,9,11,14,17H,2,4-6,8H2,1H3
InChIKeyGXVDKHVWMUNCJL-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
CID 107892586
1-chloro-4-(3-chloro-3-cyclopentylpropyl)-2-fluorobenzene
CID 107897043
1-cyclopropyl-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63355250
3-(4-chloro-2-fluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine
CID 114850824
1-cyclopropyl-N-ethyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 55201481
1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 114013343
3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 107885188
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine
CID 103040129
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 107892140
2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 103039852
[2-(4-chloro-3-fluorophenyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 114013679
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 107884732

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-N-ethylpropan-1-amine?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-N-ethylpropan-1-amine (CID 107892041) is 3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-N-ethylpropan-1-amine?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-N-ethylpropan-1-amine is CCNC(CCc1ccc(Cl)c(F)c1)C1CC1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-N-ethylpropan-1-amine?
The InChIKey is GXVDKHVWMUNCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-2-17-14(11-5-6-11)8-4-10-3-7-12(15)13(16)9-10/h3,7,9,11,14,17H,2,4-6,8H2,1H3.
What are the key properties of 3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-N-ethylpropan-1-amine?
3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-N-ethylpropan-1-amine has a molecular weight of 255.76 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-N-ethylpropan-1-amine is sourced from PubChem (CID 107892041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).