3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine

C17H19ClFN — CID 63400371

IUPAC3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
SMILESCCNC(CCc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C17H19ClFN/c1-2-20-17(13-7-4-3-5-8-13)12-11-14-15(18)9-6-10-16(14)19/h3-10,17,20H,2,11-12H2,1H3
InChIKeyYDJNFFHROIULSG-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.76
Rot. Bonds6

About 3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine

3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine (PubChem CID 63400371) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
PubChem CID63400371
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
SMILESCCNC(CCc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C17H19ClFN/c1-2-20-17(13-7-4-3-5-8-13)12-11-14-15(18)9-6-10-16(14)19/h3-10,17,20H,2,11-12H2,1H3
InChIKeyYDJNFFHROIULSG-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chloro-6-fluorophenyl)-1-phenyl-N-propylpropan-1-amine
CID 63400193
4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 114934436
4-(2-chloro-6-fluorophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 81027454
N-ethyl-3-(2-fluorophenyl)-1-phenylpropan-1-amine
CID 54891295
3-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 106943528
5-(2-chloro-6-fluorophenyl)-N-ethylpentan-2-amine
CID 64504471
N-ethyl-3-(2-fluoro-4,6-dimethylphenyl)-1-phenylpropan-1-amine
CID 106882518
3-(2,4-dichlorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 63400282
4-(3-chloro-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 103041652
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63413996
[2-(2-chloro-6-fluorophenyl)-1-phenylethyl]hydrazine
CID 105199154
3-(3-bromo-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 106646599

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine (CID 63400371) is 3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine is CCNC(CCc1c(F)cccc1Cl)c1ccccc1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine?
The InChIKey is YDJNFFHROIULSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-2-20-17(13-7-4-3-5-8-13)12-11-14-15(18)9-6-10-16(14)19/h3-10,17,20H,2,11-12H2,1H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine?
3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine has a molecular weight of 291.80 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 63400371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).