4-fluoro-N,2,3-trimethylaniline

C9H12FN — CID 155403467

IUPAC4-fluoro-N,2,3-trimethylaniline
SMILESCNc1ccc(F)c(C)c1C
InChIInChI=1S/C9H12FN/c1-6-7(2)9(11-3)5-4-8(6)10/h4-5,11H,1-3H3
InChIKeyPCONSGUVOWHLAR-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.48
Rot. Bonds1

About 4-fluoro-N,2,3-trimethylaniline

4-fluoro-N,2,3-trimethylaniline (PubChem CID 155403467) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 4-fluoro-N,2,3-trimethylaniline.

Molecular Properties

Compound Name4-fluoro-N,2,3-trimethylaniline
PubChem CID155403467
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name4-fluoro-N,2,3-trimethylaniline
SMILESCNc1ccc(F)c(C)c1C
InChIInChI=1S/C9H12FN/c1-6-7(2)9(11-3)5-4-8(6)10/h4-5,11H,1-3H3
InChIKeyPCONSGUVOWHLAR-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-difluoro-N,3-dimethylaniline
CID 134441747
4-fluoro-N,2-dimethyl-3-nitroaniline
CID 131053180
ethane;2,3,4-trifluoro-N-methylaniline
CID 157043663
N,2,3-trimethyl-4-(trifluoromethyl)aniline
CID 70839196
[3-fluoro-2-methyl-6-(methylamino)phenyl] formate;propane
CID 143450651
4-fluoro-N-methylnaphthalen-1-amine
CID 67709157
2,4-difluoro-N-methylaniline;methane
CID 157160236
ethane;(4-fluoro-2,3-dimethylanilino)-hydroxy-propyl-sulfanylazanium
CID 177032095
CID 21341950
CID 21341950
4-chloro-1-N,2-N-dimethylbenzene-1,2-diamine
CID 12589570
N-(2-chloro-4-fluoro-3-methylphenyl)formamide
CID 168651882
N-(2,4-difluoro-3-methylphenyl)methanesulfinamide;ethane
CID 163229300

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,2,3-trimethylaniline?
The IUPAC name of 4-fluoro-N,2,3-trimethylaniline (CID 155403467) is 4-fluoro-N,2,3-trimethylaniline.
What is the SMILES notation for 4-fluoro-N,2,3-trimethylaniline?
The canonical SMILES for 4-fluoro-N,2,3-trimethylaniline is CNc1ccc(F)c(C)c1C.
What is the InChIKey of 4-fluoro-N,2,3-trimethylaniline?
The InChIKey is PCONSGUVOWHLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-6-7(2)9(11-3)5-4-8(6)10/h4-5,11H,1-3H3.
What are the key properties of 4-fluoro-N,2,3-trimethylaniline?
4-fluoro-N,2,3-trimethylaniline has a molecular weight of 153.20 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,2,3-trimethylaniline is sourced from PubChem (CID 155403467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).