3-fluoro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline

C17H20FN — CID 63453660

IUPAC3-fluoro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline
SMILESCc1cc(C)c(CNc2cccc(F)c2C)c(C)c1
InChIInChI=1S/C17H20FN/c1-11-8-12(2)15(13(3)9-11)10-19-17-7-5-6-16(18)14(17)4/h5-9,19H,10H2,1-4H3
InChIKeyNXKVFMGGZJTQTA-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.67
Rot. Bonds3

About 3-fluoro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline

3-fluoro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline (PubChem CID 63453660) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 3-fluoro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-fluoro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline
PubChem CID63453660
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name3-fluoro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline
SMILESCc1cc(C)c(CNc2cccc(F)c2C)c(C)c1
InChIInChI=1S/C17H20FN/c1-11-8-12(2)15(13(3)9-11)10-19-17-7-5-6-16(18)14(17)4/h5-9,19H,10H2,1-4H3
InChIKeyNXKVFMGGZJTQTA-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]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

2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine
CID 115124450
N-[(3,5-dichlorophenyl)methyl]-3-fluoro-2-methylaniline
CID 63454346
3-fluoro-4-methyl-5-[(2,4,6-trimethylphenyl)methylamino]benzonitrile
CID 43728298
3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline
CID 29039317
N-[(3,5-dimethylphenyl)methyl]-2,3-difluoroaniline
CID 54978785
3-fluoro-2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 63453833
3-[(2,6-difluorophenyl)methylamino]-2,6-dimethylphenol
CID 43741707
3-[(2,4,6-trimethylphenyl)methylamino]phenol
CID 28722294
N-[(3-bromo-4-chlorophenyl)methyl]-3-fluoro-2-methylaniline
CID 83229913
1-(3-fluoro-2-methylphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 46860092
N-[(2,6-difluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline
CID 43738958
3-bromo-N-[(2,6-difluorophenyl)methyl]-5-methylaniline
CID 107582170

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline?
The IUPAC name of 3-fluoro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline (CID 63453660) is 3-fluoro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline.
What is the SMILES notation for 3-fluoro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline?
The canonical SMILES for 3-fluoro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline is Cc1cc(C)c(CNc2cccc(F)c2C)c(C)c1.
What is the InChIKey of 3-fluoro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline?
The InChIKey is NXKVFMGGZJTQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-11-8-12(2)15(13(3)9-11)10-19-17-7-5-6-16(18)14(17)4/h5-9,19H,10H2,1-4H3.
What are the key properties of 3-fluoro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline?
3-fluoro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline has a molecular weight of 257.35 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline is sourced from PubChem (CID 63453660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).