2-ethyl-6-fluoro-N-methylaniline

C9H12FN — CID 22769633

IUPAC2-ethyl-6-fluoro-N-methylaniline
SMILESCCc1cccc(F)c1NC
InChIInChI=1S/C9H12FN/c1-3-7-5-4-6-8(10)9(7)11-2/h4-6,11H,3H2,1-2H3
InChIKeySMXILZRGJDKDHK-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.43
Rot. Bonds2

About 2-ethyl-6-fluoro-N-methylaniline

2-ethyl-6-fluoro-N-methylaniline (PubChem CID 22769633) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-N-methylaniline.

Molecular Properties

Compound Name2-ethyl-6-fluoro-N-methylaniline
PubChem CID22769633
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name2-ethyl-6-fluoro-N-methylaniline
SMILESCCc1cccc(F)c1NC
InChIInChI=1S/C9H12FN/c1-3-7-5-4-6-8(10)9(7)11-2/h4-6,11H,3H2,1-2H3
InChIKeySMXILZRGJDKDHK-UHFFFAOYSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-6-fluoro-N-methylaniline
CID 22769598
N-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide
CID 64693951
tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate
CID 153485690
N-(2,6-diethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008077
2-ethyl-N-methyl-6-propan-2-ylaniline
CID 131620902
1-ethyl-3-fluoro-2-methylbenzene
CID 18711825
3-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine
CID 69472911
azane;1-ethyl-2-fluorobenzene
CID 66657049
3-(2,6-diethylanilino)-N-(2,6-difluorophenyl)propanamide
CID 109037146
2-bromo-6-fluoro-N-methylaniline
CID 21161540
1-ethyl-2,3-difluorobenzene;methanamine
CID 143205868
2-fluoro-N,6-dimethylaniline;hydrochloride
CID 167737520

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluoro-N-methylaniline?
The IUPAC name of 2-ethyl-6-fluoro-N-methylaniline (CID 22769633) is 2-ethyl-6-fluoro-N-methylaniline.
What is the SMILES notation for 2-ethyl-6-fluoro-N-methylaniline?
The canonical SMILES for 2-ethyl-6-fluoro-N-methylaniline is CCc1cccc(F)c1NC.
What is the InChIKey of 2-ethyl-6-fluoro-N-methylaniline?
The InChIKey is SMXILZRGJDKDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-3-7-5-4-6-8(10)9(7)11-2/h4-6,11H,3H2,1-2H3.
What are the key properties of 2-ethyl-6-fluoro-N-methylaniline?
2-ethyl-6-fluoro-N-methylaniline has a molecular weight of 153.20 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluoro-N-methylaniline is sourced from PubChem (CID 22769633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).