1-(3,4-difluorophenyl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine

C16H17F2NO2 — CID 105145620

IUPAC1-(3,4-difluorophenyl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(F)c1)c1cccc(OC)c1OC
InChIInChI=1S/C16H17F2NO2/c1-19-15(10-7-8-12(17)13(18)9-10)11-5-4-6-14(20-2)16(11)21-3/h4-9,15,19H,1-3H3
InChIKeyLRHXTGCTEJCDJR-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.29
Rot. Bonds5

About 1-(3,4-difluorophenyl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine

1-(3,4-difluorophenyl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine (PubChem CID 105145620) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine
PubChem CID105145620
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name1-(3,4-difluorophenyl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(F)c1)c1cccc(OC)c1OC
InChIInChI=1S/C16H17F2NO2/c1-19-15(10-7-8-12(17)13(18)9-10)11-5-4-6-14(20-2)16(11)21-3/h4-9,15,19H,1-3H3
InChIKeyLRHXTGCTEJCDJR-UHFFFAOYSA-N
XLogP3.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-difluorophenyl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine 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-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 105090742
1-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 82807916
1-(3,4-difluorophenyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 43484617
1-(2-ethoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43487683
1-(2,5-difluorophenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43482905
1-(2-fluoro-3-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 82792923
1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 104545899
N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 43496515
1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 62919212
1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 43487462
1-(3-chloro-4-methoxyphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 62649514
1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288273

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine (CID 105145620) is 1-(3,4-difluorophenyl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine is CNC(c1ccc(F)c(F)c1)c1cccc(OC)c1OC.
What is the InChIKey of 1-(3,4-difluorophenyl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine?
The InChIKey is LRHXTGCTEJCDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-19-15(10-7-8-12(17)13(18)9-10)11-5-4-6-14(20-2)16(11)21-3/h4-9,15,19H,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine?
1-(3,4-difluorophenyl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine has a molecular weight of 293.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 105145620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).