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

C17H18F3N — CID 82910596

IUPAC2-(3,4-difluorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(F)c(F)c1)c1ccc(F)cc1C
InChIInChI=1S/C17H18F3N/c1-3-21-17(14-6-5-13(18)8-11(14)2)10-12-4-7-15(19)16(20)9-12/h4-9,17,21H,3,10H2,1-2H3
InChIKeyNHXITPRRWQVKMB-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.31
Rot. Bonds5

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

2-(3,4-difluorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 82910596) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID82910596
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name2-(3,4-difluorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(F)c(F)c1)c1ccc(F)cc1C
InChIInChI=1S/C17H18F3N/c1-3-21-17(14-6-5-13(18)8-11(14)2)10-12-4-7-15(19)16(20)9-12/h4-9,17,21H,3,10H2,1-2H3
InChIKeyNHXITPRRWQVKMB-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-(4-ethylphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81269216
2-(3-chlorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 63412552
1-(2-chloro-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 106858425
1-(4-bromo-2-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 63527393
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 79726305
N,3-diethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine
CID 82923467
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803668
1-(3,4-difluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347679
1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 82909863
1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63526766
1-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 81459580
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 107891773

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine (CID 82910596) is 2-(3,4-difluorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine is CCNC(Cc1ccc(F)c(F)c1)c1ccc(F)cc1C.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is NHXITPRRWQVKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-3-21-17(14-6-5-13(18)8-11(14)2)10-12-4-7-15(19)16(20)9-12/h4-9,17,21H,3,10H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine?
2-(3,4-difluorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 293.33 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 82910596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).