3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine

C17H19ClFN — CID 103049753

IUPAC3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine
SMILESCCNCC(Cc1cc(Cl)ccc1F)c1ccccc1
InChIInChI=1S/C17H19ClFN/c1-2-20-12-15(13-6-4-3-5-7-13)10-14-11-16(18)8-9-17(14)19/h3-9,11,15,20H,2,10,12H2,1H3
InChIKeyAOZIAPSLLFJUAV-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.41
Rot. Bonds6

About 3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine

3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine (PubChem CID 103049753) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine
PubChem CID103049753
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine
SMILESCCNCC(Cc1cc(Cl)ccc1F)c1ccccc1
InChIInChI=1S/C17H19ClFN/c1-2-20-12-15(13-6-4-3-5-7-13)10-14-11-16(18)8-9-17(14)19/h3-9,11,15,20H,2,10,12H2,1H3
InChIKeyAOZIAPSLLFJUAV-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

3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 103049752
3-(4-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 81024440
3-(4-chloro-2-fluorophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 114858835
3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
CID 103049776
2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine
CID 79433435
3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine
CID 79430252
2-(3-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
CID 114858847
3-(2,5-dichlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 79430391
2-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 103049778
N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79417898
3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine
CID 79441626
2-(3-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79443251

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine (CID 103049753) is 3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine is CCNCC(Cc1cc(Cl)ccc1F)c1ccccc1.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine?
The InChIKey is AOZIAPSLLFJUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-2-20-12-15(13-6-4-3-5-7-13)10-14-11-16(18)8-9-17(14)19/h3-9,11,15,20H,2,10,12H2,1H3.
What are the key properties of 3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine?
3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-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-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine is sourced from PubChem (CID 103049753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).