N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline

C16H18FN — CID 55040391

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline
SMILESCc1cc(C)cc(NCc2ccc(F)c(C)c2)c1
InChIInChI=1S/C16H18FN/c1-11-6-12(2)8-15(7-11)18-10-14-4-5-16(17)13(3)9-14/h4-9,18H,10H2,1-3H3
InChIKeyRFOZHVWVYHEMMD-UHFFFAOYSA-N
MW243.32 g/mol
LogP4.36
Rot. Bonds3

About N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline

N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline (PubChem CID 55040391) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline
PubChem CID55040391
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline
SMILESCc1cc(C)cc(NCc2ccc(F)c(C)c2)c1
InChIInChI=1S/C16H18FN/c1-11-6-12(2)8-15(7-11)18-10-14-4-5-16(17)13(3)9-14/h4-9,18H,10H2,1-3H3
InChIKeyRFOZHVWVYHEMMD-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline
CID 81436699
3-N-[(3-chloro-4-fluorophenyl)methyl]-5-methylbenzene-1,3-diamine
CID 112647695
N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 81436065
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
4-fluoro-3-methyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63050571
2,3,5,6-tetrafluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 107643878
2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline
CID 103585043
2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62121783
N-[(3-bromo-4-fluorophenyl)methyl]-2,4,6-trimethylaniline
CID 63448598
2-fluoro-4-[(3-fluoro-5-methylanilino)methyl]phenol
CID 107685847
4-N,4-N-diethyl-1-N-[(4-fluoro-3-methylphenyl)methyl]benzene-1,4-diamine
CID 62120225
N-[(4-fluoro-3-methylphenyl)methyl]-2H-benzotriazol-5-amine
CID 71845501

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline (CID 55040391) is N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline is Cc1cc(C)cc(NCc2ccc(F)c(C)c2)c1.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline?
The InChIKey is RFOZHVWVYHEMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-11-6-12(2)8-15(7-11)18-10-14-4-5-16(17)13(3)9-14/h4-9,18H,10H2,1-3H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline?
N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline has a molecular weight of 243.32 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline is sourced from PubChem (CID 55040391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).