N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline

C15H16FN — CID 62125415

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline
SMILESCc1cc(F)ccc1CNc1ccccc1C
InChIInChI=1S/C15H16FN/c1-11-5-3-4-6-15(11)17-10-13-7-8-14(16)9-12(13)2/h3-9,17H,10H2,1-2H3
InChIKeyXFNXJAHERXUERR-UHFFFAOYSA-N
MW229.30 g/mol
LogP4.05
Rot. Bonds3

About N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline

N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline (PubChem CID 62125415) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline
PubChem CID62125415
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline
SMILESCc1cc(F)ccc1CNc1ccccc1C
InChIInChI=1S/C15H16FN/c1-11-5-3-4-6-15(11)17-10-13-7-8-14(16)9-12(13)2/h3-9,17H,10H2,1-2H3
InChIKeyXFNXJAHERXUERR-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-4-fluorophenyl)methyl]-2-methylaniline
CID 28585998
4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline
CID 79768402
N-[(4-fluoro-2-methylphenyl)methyl]-2-(tetrazol-1-yl)aniline
CID 62135429
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-6-methylaniline
CID 66251464
4-bromo-2,5-difluoro-N-[(4-fluoro-2-methylphenyl)methyl]aniline
CID 107609530
methyl 3-[(4-fluoro-2-methylphenyl)methylamino]-2-methylbenzoate
CID 62134920
N-[(4-fluoro-2-methylphenyl)methyl]-2,4,6-trimethylaniline
CID 63448392
N-[(4-fluoro-2-methylphenyl)methyl]-8-methylquinolin-5-amine
CID 62134419
N-[(2-bromo-4-fluorophenyl)methyl]-2-chloro-3-methylaniline
CID 114251751
(4-fluoro-2-methylphenyl)methylhydrazine
CID 62134816
2-[(2-methylanilino)methyl]phenol
CID 3240149
3-bromo-N-[(4-fluoro-2-methylphenyl)methyl]quinolin-8-amine
CID 116783232

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline (CID 62125415) is N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline is Cc1cc(F)ccc1CNc1ccccc1C.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline?
The InChIKey is XFNXJAHERXUERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c1-11-5-3-4-6-15(11)17-10-13-7-8-14(16)9-12(13)2/h3-9,17H,10H2,1-2H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline?
N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline has a molecular weight of 229.30 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline is sourced from PubChem (CID 62125415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).