N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline

C15H16FN — CID 40632168

IUPACN-[(4-fluorophenyl)methyl]-2,3-dimethylaniline
SMILESCc1cccc(NCc2ccc(F)cc2)c1C
InChIInChI=1S/C15H16FN/c1-11-4-3-5-15(12(11)2)17-10-13-6-8-14(16)9-7-13/h3-9,17H,10H2,1-2H3
InChIKeyNLYLNBIGTHQBKL-UHFFFAOYSA-N
MW229.30 g/mol
LogP4.05
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline

N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline (PubChem CID 40632168) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2,3-dimethylaniline
PubChem CID40632168
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC NameN-[(4-fluorophenyl)methyl]-2,3-dimethylaniline
SMILESCc1cccc(NCc2ccc(F)cc2)c1C
InChIInChI=1S/C15H16FN/c1-11-4-3-5-15(12(11)2)17-10-13-6-8-14(16)9-7-13/h3-9,17H,10H2,1-2H3
InChIKeyNLYLNBIGTHQBKL-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

[4-[(2,3-dimethylanilino)methyl]phenyl]methanol
CID 112630874
2,3-dimethyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 103437518
N'-(2,3-dimethylphenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 54805514
3-[(4-fluorophenyl)methylamino]-2-methylbenzoic acid
CID 17058960
N-benzyl-2,3-dimethylaniline;formic acid
CID 175448541
N-[(4-bromophenyl)methyl]-2-fluoro-3-methylaniline
CID 114254482
N-benzyl-2,3-dimethylaniline;propanoic acid
CID 175448532
2,3-dimethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 39384066
N-(2,3-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]pyridazine-3-carboxamide
CID 109119458
N-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dimethylaniline
CID 115980289
N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24604792
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dimethylaniline
CID 115525992

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline (CID 40632168) is N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline is Cc1cccc(NCc2ccc(F)cc2)c1C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline?
The InChIKey is NLYLNBIGTHQBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c1-11-4-3-5-15(12(11)2)17-10-13-6-8-14(16)9-7-13/h3-9,17H,10H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline?
N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline 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-fluorophenyl)methyl]-2,3-dimethylaniline is sourced from PubChem (CID 40632168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).