3-(3-chlorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine

C17H19ClFN — CID 79441774

IUPAC3-(3-chlorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
SMILESCCNCC(Cc1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C17H19ClFN/c1-2-20-12-15(14-6-8-17(19)9-7-14)10-13-4-3-5-16(18)11-13/h3-9,11,15,20H,2,10,12H2,1H3
InChIKeyWLQXSJNRWJPNHX-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.41
Rot. Bonds6

About 3-(3-chlorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine

3-(3-chlorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine (PubChem CID 79441774) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
PubChem CID79441774
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name3-(3-chlorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
SMILESCCNCC(Cc1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C17H19ClFN/c1-2-20-12-15(14-6-8-17(19)9-7-14)10-13-4-3-5-16(18)11-13/h3-9,11,15,20H,2,10,12H2,1H3
InChIKeyWLQXSJNRWJPNHX-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63523316
2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine
CID 79443421
3-(3-chloro-2-fluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 102859054
N-ethyl-3-(4-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 79436688
N-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 79442006
2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine
CID 79433435
2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine
CID 114933720
2-(3-chlorophenyl)-1-(4-fluorophenyl)ethanol
CID 60797606
N-[2-(3-chlorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 60818258
N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine
CID 79440444
3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 103049753
3-(2,3-difluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79432828

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine (CID 79441774) is 3-(3-chlorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine is CCNCC(Cc1cccc(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 3-(3-chlorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine?
The InChIKey is WLQXSJNRWJPNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-2-20-12-15(14-6-8-17(19)9-7-14)10-13-4-3-5-16(18)11-13/h3-9,11,15,20H,2,10,12H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine?
3-(3-chlorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine has a molecular weight of 291.80 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 79441774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).