2-butyl-6-fluoro-N-methylaniline

C11H16FN — CID 22769598

IUPAC2-butyl-6-fluoro-N-methylaniline
SMILESCCCCc1cccc(F)c1NC
InChIInChI=1S/C11H16FN/c1-3-4-6-9-7-5-8-10(12)11(9)13-2/h5,7-8,13H,3-4,6H2,1-2H3
InChIKeyQPQYOZIDGIFXEB-UHFFFAOYSA-N
MW181.25 g/mol
LogP3.21
Rot. Bonds4

About 2-butyl-6-fluoro-N-methylaniline

2-butyl-6-fluoro-N-methylaniline (PubChem CID 22769598) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 2-butyl-6-fluoro-N-methylaniline.

Molecular Properties

Compound Name2-butyl-6-fluoro-N-methylaniline
PubChem CID22769598
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name2-butyl-6-fluoro-N-methylaniline
SMILESCCCCc1cccc(F)c1NC
InChIInChI=1S/C11H16FN/c1-3-4-6-9-7-5-8-10(12)11(9)13-2/h5,7-8,13H,3-4,6H2,1-2H3
InChIKeyQPQYOZIDGIFXEB-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-6-fluoro-N-methylaniline
CID 22769633
1-fluoro-2-heptylbenzene
CID 20721019
1-fluoro-2,3-dioctylbenzene
CID 67729666
2-fluoro-N,6-dimethylaniline;hydrochloride
CID 167737520
2-butyl-N-methylaniline;hydrochloride
CID 67695617
N,2-dimethyl-6-[3-(methylamino)propyl]aniline
CID 143047575
CID 159940559
CID 159940559
1,2,3-tributylbenzene;hydrate
CID 172716323
3-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine
CID 69472911
1,3-dibutyl-2-ethylbenzene
CID 22713046
1,3-difluorobenzene;1-fluoro-2-hexylbenzene;methoxymethane
CID 174924769
2-(2-butyl-6-fluorophenoxy)ethanol
CID 58241999

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-fluoro-N-methylaniline?
The IUPAC name of 2-butyl-6-fluoro-N-methylaniline (CID 22769598) is 2-butyl-6-fluoro-N-methylaniline.
What is the SMILES notation for 2-butyl-6-fluoro-N-methylaniline?
The canonical SMILES for 2-butyl-6-fluoro-N-methylaniline is CCCCc1cccc(F)c1NC.
What is the InChIKey of 2-butyl-6-fluoro-N-methylaniline?
The InChIKey is QPQYOZIDGIFXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-3-4-6-9-7-5-8-10(12)11(9)13-2/h5,7-8,13H,3-4,6H2,1-2H3.
What are the key properties of 2-butyl-6-fluoro-N-methylaniline?
2-butyl-6-fluoro-N-methylaniline has a molecular weight of 181.25 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-fluoro-N-methylaniline is sourced from PubChem (CID 22769598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).