2-(3-chlorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine

C17H19ClFN — CID 63412552

IUPAC2-(3-chlorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1)c1ccc(F)cc1C
InChIInChI=1S/C17H19ClFN/c1-3-20-17(11-13-5-4-6-14(18)10-13)16-8-7-15(19)9-12(16)2/h4-10,17,20H,3,11H2,1-2H3
InChIKeyJXJTVWANDFPSDS-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.68
Rot. Bonds5

About 2-(3-chlorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine

2-(3-chlorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 63412552) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID63412552
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name2-(3-chlorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1)c1ccc(F)cc1C
InChIInChI=1S/C17H19ClFN/c1-3-20-17(11-13-5-4-6-14(18)10-13)16-8-7-15(19)9-12(16)2/h4-10,17,20H,3,11H2,1-2H3
InChIKeyJXJTVWANDFPSDS-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 105394689
2-(3,4-difluorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 82910596
N-ethyl-2-(4-ethylphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81269216
1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 63420154
1-(2,5-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 43492963
1-(3-chlorophenyl)-N-ethyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373667
2-(3-chlorophenyl)-N-ethyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 63508626
2-(3-chlorophenyl)-1-(2,4-dibromophenyl)-N-ethylethanamine
CID 107945002
2-(3-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 62503419
2-(3-chlorophenyl)-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 63412584
1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 60819525
2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63412120

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine (CID 63412552) is 2-(3-chlorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine is CCNC(Cc1cccc(Cl)c1)c1ccc(F)cc1C.
What is the InChIKey of 2-(3-chlorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is JXJTVWANDFPSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-3-20-17(11-13-5-4-6-14(18)10-13)16-8-7-15(19)9-12(16)2/h4-10,17,20H,3,11H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine?
2-(3-chlorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 291.80 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 63412552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).