3-[amino-(3-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline

C16H19FN2 — CID 105169951

IUPAC3-[amino-(3-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline
SMILESCc1cc(F)cc(C(N)c2cccc(N(C)C)c2)c1
InChIInChI=1S/C16H19FN2/c1-11-7-13(9-14(17)8-11)16(18)12-5-4-6-15(10-12)19(2)3/h4-10,16H,18H2,1-3H3
InChIKeyLQWMKBAOEUUHHS-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.25
Rot. Bonds3

About 3-[amino-(3-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline

3-[amino-(3-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline (PubChem CID 105169951) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-[amino-(3-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[amino-(3-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline
PubChem CID105169951
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name3-[amino-(3-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline
SMILESCc1cc(F)cc(C(N)c2cccc(N(C)C)c2)c1
InChIInChI=1S/C16H19FN2/c1-11-7-13(9-14(17)8-11)16(18)12-5-4-6-15(10-12)19(2)3/h4-10,16H,18H2,1-3H3
InChIKeyLQWMKBAOEUUHHS-UHFFFAOYSA-N
XLogP3.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[amino-(3-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline 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

3-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylaniline
CID 105141994
3-[amino-(4-fluoro-3-methylphenyl)methyl]-N,N-dimethylaniline
CID 105142950
(3-fluoro-5-methylphenyl)-(4-methylphenyl)methanamine
CID 79704327
3-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-dimethylaniline
CID 105146180
3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride
CID 53484765
(4-chloro-3-fluorophenyl)-(3-fluoro-5-methylphenyl)methanamine
CID 107994515
(3-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine
CID 43825493
[4-(dimethylamino)phenyl]-(3-fluoro-5-methylphenyl)methanol
CID 79692029
3-[amino-(4-cyclobutylphenyl)methyl]-N,N-dimethylaniline
CID 105185231
3-[(4-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline
CID 105284037
3-[amino(quinolin-7-yl)methyl]-N,N-dimethylaniline
CID 105172596
3-[1-amino-2-(2-chloro-6-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105105636

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(3-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline?
The IUPAC name of 3-[amino-(3-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline (CID 105169951) is 3-[amino-(3-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[amino-(3-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[amino-(3-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline is Cc1cc(F)cc(C(N)c2cccc(N(C)C)c2)c1.
What is the InChIKey of 3-[amino-(3-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline?
The InChIKey is LQWMKBAOEUUHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-11-7-13(9-14(17)8-11)16(18)12-5-4-6-15(10-12)19(2)3/h4-10,16H,18H2,1-3H3.
What are the key properties of 3-[amino-(3-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline?
3-[amino-(3-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline has a molecular weight of 258.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(3-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105169951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).