1-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-phenylethanamine

C17H19F2N — CID 107513135

IUPAC1-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-phenylethanamine
SMILESCCNC(Cc1ccccc1)c1ccc(C)c(F)c1F
InChIInChI=1S/C17H19F2N/c1-3-20-15(11-13-7-5-4-6-8-13)14-10-9-12(2)16(18)17(14)19/h4-10,15,20H,3,11H2,1-2H3
InChIKeyYMDLGOKYKAMCNV-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.17
Rot. Bonds5

About 1-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-phenylethanamine

1-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-phenylethanamine (PubChem CID 107513135) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-phenylethanamine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-phenylethanamine
PubChem CID107513135
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-phenylethanamine
SMILESCCNC(Cc1ccccc1)c1ccc(C)c(F)c1F
InChIInChI=1S/C17H19F2N/c1-3-20-15(11-13-7-5-4-6-8-13)14-10-9-12(2)16(18)17(14)19/h4-10,15,20H,3,11H2,1-2H3
InChIKeyYMDLGOKYKAMCNV-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-phenylethanamine
CID 82815037
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(4-methylphenyl)ethanamine
CID 81477799
N-ethyl-2-phenyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302765
2-(4-chlorophenyl)-N-ethyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 62964463
1-(2,3-difluoro-4-methylphenyl)-N-ethyl-3-methoxypropan-1-amine
CID 107513225
1-(2,3-difluoro-4-methylphenyl)-N-ethyloctan-1-amine
CID 107515605
2-(3,4-dimethylphenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63420060
N-[1-(4-bromo-3-chloro-2-fluorophenyl)-2-phenylethyl]propan-1-amine
CID 106762282
1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine
CID 107513182
[1-(2,3-difluoro-4-methylphenyl)-3-phenylpropyl]hydrazine
CID 107516336
N-ethyl-2-(4-ethylphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81269216
1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine
CID 55224707

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-phenylethanamine?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-phenylethanamine (CID 107513135) is 1-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-phenylethanamine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-phenylethanamine?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-phenylethanamine is CCNC(Cc1ccccc1)c1ccc(C)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-phenylethanamine?
The InChIKey is YMDLGOKYKAMCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-3-20-15(11-13-7-5-4-6-8-13)14-10-9-12(2)16(18)17(14)19/h4-10,15,20H,3,11H2,1-2H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-phenylethanamine?
1-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-phenylethanamine has a molecular weight of 275.34 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-phenylethanamine is sourced from PubChem (CID 107513135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).