1-(2,4-difluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine

C18H21F2N — CID 63417959

IUPAC1-(2,4-difluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(Cc1c(C)cc(C)cc1C)c1ccc(F)cc1F
InChIInChI=1S/C18H21F2N/c1-11-7-12(2)16(13(3)8-11)10-18(21-4)15-6-5-14(19)9-17(15)20/h5-9,18,21H,10H2,1-4H3
InChIKeyNEVZUMMCWZMAGN-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.39
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine

1-(2,4-difluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 63417959) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID63417959
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(Cc1c(C)cc(C)cc1C)c1ccc(F)cc1F
InChIInChI=1S/C18H21F2N/c1-11-7-12(2)16(13(3)8-11)10-18(21-4)15-6-5-14(19)9-17(15)20/h5-9,18,21H,10H2,1-4H3
InChIKeyNEVZUMMCWZMAGN-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-fluoro-2-methylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 63416549
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 63420241
1-(4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549311
1-(2,4-difluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 62538013
1-(2,4-difluorophenyl)-N-methylpentan-1-amine
CID 43484085
1-(2,4-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105143608
1-(4-chloro-2-fluorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 63081771
1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43484135
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 105412480
2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylethanamine
CID 63084053
1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066186
1-(3,5-dimethylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828652

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine (CID 63417959) is 1-(2,4-difluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine is CNC(Cc1c(C)cc(C)cc1C)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is NEVZUMMCWZMAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-11-7-12(2)16(13(3)8-11)10-18(21-4)15-6-5-14(19)9-17(15)20/h5-9,18,21H,10H2,1-4H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
1-(2,4-difluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 289.37 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 63417959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).