1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-phenylethanamine

C17H19F2N — CID 82815037

IUPAC1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-phenylethanamine
SMILESCCNC(Cc1ccccc1)c1c(F)ccc(C)c1F
InChIInChI=1S/C17H19F2N/c1-3-20-15(11-13-7-5-4-6-8-13)16-14(18)10-9-12(2)17(16)19/h4-10,15,20H,3,11H2,1-2H3
InChIKeyHKISUCHYVITBQI-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.17
Rot. Bonds5

About 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-phenylethanamine

1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-phenylethanamine (PubChem CID 82815037) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-phenylethanamine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-phenylethanamine
PubChem CID82815037
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-phenylethanamine
SMILESCCNC(Cc1ccccc1)c1c(F)ccc(C)c1F
InChIInChI=1S/C17H19F2N/c1-3-20-15(11-13-7-5-4-6-8-13)16-14(18)10-9-12(2)17(16)19/h4-10,15,20H,3,11H2,1-2H3
InChIKeyHKISUCHYVITBQI-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

Analyze 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-phenylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-phenylethanamine
CID 107513135
1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine
CID 82823122
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 82823040
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 82822293
2-(1-chloro-2-phenylethyl)-1,3-difluoro-4-methylbenzene
CID 82815838
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 82797111
2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine
CID 82823061
N-ethyl-2-phenyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302765
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105175820
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009248
1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 82814614
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860877

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-phenylethanamine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-phenylethanamine (CID 82815037) is 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-phenylethanamine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-phenylethanamine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-phenylethanamine is CCNC(Cc1ccccc1)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-phenylethanamine?
The InChIKey is HKISUCHYVITBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-3-20-15(11-13-7-5-4-6-8-13)16-14(18)10-9-12(2)17(16)19/h4-10,15,20H,3,11H2,1-2H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-phenylethanamine?
1-(2,6-difluoro-3-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-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-phenylethanamine is sourced from PubChem (CID 82815037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).