3-fluoro-N-methyl-5-(methylaminomethyl)-N-(3-methylphenyl)aniline

C16H19FN2 — CID 106530942

IUPAC3-fluoro-N-methyl-5-(methylaminomethyl)-N-(3-methylphenyl)aniline
SMILESCNCc1cc(F)cc(N(C)c2cccc(C)c2)c1
InChIInChI=1S/C16H19FN2/c1-12-5-4-6-15(7-12)19(3)16-9-13(11-18-2)8-14(17)10-16/h4-10,18H,11H2,1-3H3
InChIKeyLGWKUGWPCPEUBD-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.62
Rot. Bonds4

About 3-fluoro-N-methyl-5-(methylaminomethyl)-N-(3-methylphenyl)aniline

3-fluoro-N-methyl-5-(methylaminomethyl)-N-(3-methylphenyl)aniline (PubChem CID 106530942) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-fluoro-N-methyl-5-(methylaminomethyl)-N-(3-methylphenyl)aniline.

Molecular Properties

Compound Name3-fluoro-N-methyl-5-(methylaminomethyl)-N-(3-methylphenyl)aniline
PubChem CID106530942
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name3-fluoro-N-methyl-5-(methylaminomethyl)-N-(3-methylphenyl)aniline
SMILESCNCc1cc(F)cc(N(C)c2cccc(C)c2)c1
InChIInChI=1S/C16H19FN2/c1-12-5-4-6-15(7-12)19(3)16-9-13(11-18-2)8-14(17)10-16/h4-10,18H,11H2,1-3H3
InChIKeyLGWKUGWPCPEUBD-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-N-methyl-5-(methylaminomethyl)-N-(3-methylphenyl)aniline 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

N,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline
CID 106530735
3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline
CID 106530783
N-(3-fluorophenyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 62295394
(E)-3-[3-(N,3-dimethylanilino)-5-fluorophenyl]prop-2-enoic acid
CID 106531508
N,3-dimethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]aniline
CID 62435152
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605
2-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-1-(3-methylphenyl)ethanone
CID 58337531
N,N'-dimethyl-N'-(3-methylphenyl)methanediamine
CID 115226747
3-fluoro-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)aniline
CID 106530794
N,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62436032
1-(3-fluorophenyl)-N-methylmethanamine;methane
CID 144941396
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,3-dimethylaniline
CID 102770280

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-5-(methylaminomethyl)-N-(3-methylphenyl)aniline?
The IUPAC name of 3-fluoro-N-methyl-5-(methylaminomethyl)-N-(3-methylphenyl)aniline (CID 106530942) is 3-fluoro-N-methyl-5-(methylaminomethyl)-N-(3-methylphenyl)aniline.
What is the SMILES notation for 3-fluoro-N-methyl-5-(methylaminomethyl)-N-(3-methylphenyl)aniline?
The canonical SMILES for 3-fluoro-N-methyl-5-(methylaminomethyl)-N-(3-methylphenyl)aniline is CNCc1cc(F)cc(N(C)c2cccc(C)c2)c1.
What is the InChIKey of 3-fluoro-N-methyl-5-(methylaminomethyl)-N-(3-methylphenyl)aniline?
The InChIKey is LGWKUGWPCPEUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-12-5-4-6-15(7-12)19(3)16-9-13(11-18-2)8-14(17)10-16/h4-10,18H,11H2,1-3H3.
What are the key properties of 3-fluoro-N-methyl-5-(methylaminomethyl)-N-(3-methylphenyl)aniline?
3-fluoro-N-methyl-5-(methylaminomethyl)-N-(3-methylphenyl)aniline has a molecular weight of 258.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-5-(methylaminomethyl)-N-(3-methylphenyl)aniline is sourced from PubChem (CID 106530942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).