1-(3,4-difluorophenyl)-N-methyl-2-phenylethanamine

C15H15F2N — CID 43484623

IUPAC1-(3,4-difluorophenyl)-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2N/c1-18-15(9-11-5-3-2-4-6-11)12-7-8-13(16)14(17)10-12/h2-8,10,15,18H,9H2,1H3
InChIKeyNWPLDEFLHOEAQD-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.47
Rot. Bonds4

About 1-(3,4-difluorophenyl)-N-methyl-2-phenylethanamine

1-(3,4-difluorophenyl)-N-methyl-2-phenylethanamine (PubChem CID 43484623) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-methyl-2-phenylethanamine
PubChem CID43484623
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-(3,4-difluorophenyl)-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2N/c1-18-15(9-11-5-3-2-4-6-11)12-7-8-13(16)14(17)10-12/h2-8,10,15,18H,9H2,1H3
InChIKeyNWPLDEFLHOEAQD-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine
CID 60820090
1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 62802846
1-(3,4-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 43484603
1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 63527917
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 62602257
2-chloro-1-(3,4-difluorophenyl)-N-methylethanamine
CID 116952603
1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 60818353
1-(3,4-difluorophenyl)-N-methylpropane-1,3-diamine
CID 116948387
3-(3,4-difluorophenyl)-3-(methylamino)propanoic acid
CID 65236492
1-(3,4-difluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446480
1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818995
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486451

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-methyl-2-phenylethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-methyl-2-phenylethanamine (CID 43484623) is 1-(3,4-difluorophenyl)-N-methyl-2-phenylethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-methyl-2-phenylethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-methyl-2-phenylethanamine is CNC(Cc1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-methyl-2-phenylethanamine?
The InChIKey is NWPLDEFLHOEAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-18-15(9-11-5-3-2-4-6-11)12-7-8-13(16)14(17)10-12/h2-8,10,15,18H,9H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-methyl-2-phenylethanamine?
1-(3,4-difluorophenyl)-N-methyl-2-phenylethanamine has a molecular weight of 247.29 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-methyl-2-phenylethanamine is sourced from PubChem (CID 43484623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).