3-fluoro-N-(2-fluorobutyl)-5-methylaniline

C11H15F2N — CID 131160310

IUPAC3-fluoro-N-(2-fluorobutyl)-5-methylaniline
SMILESCCC(F)CNc1cc(C)cc(F)c1
InChIInChI=1S/C11H15F2N/c1-3-9(12)7-14-11-5-8(2)4-10(13)6-11/h4-6,9,14H,3,7H2,1-2H3
InChIKeyBIVYFVZCBRHHBB-UHFFFAOYSA-N
MW199.24 g/mol
LogP3.29
Rot. Bonds4

About 3-fluoro-N-(2-fluorobutyl)-5-methylaniline

3-fluoro-N-(2-fluorobutyl)-5-methylaniline (PubChem CID 131160310) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 3-fluoro-N-(2-fluorobutyl)-5-methylaniline.

Molecular Properties

Compound Name3-fluoro-N-(2-fluorobutyl)-5-methylaniline
PubChem CID131160310
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name3-fluoro-N-(2-fluorobutyl)-5-methylaniline
SMILESCCC(F)CNc1cc(C)cc(F)c1
InChIInChI=1S/C11H15F2N/c1-3-9(12)7-14-11-5-8(2)4-10(13)6-11/h4-6,9,14H,3,7H2,1-2H3
InChIKeyBIVYFVZCBRHHBB-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-5-methyl-N-(2-methylpropyl)aniline
CID 75356152
(2R)-1-(3-fluoro-5-methylanilino)propan-2-ol
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3-fluoro-N-(2-fluorobutyl)-4-methylaniline
CID 130662936
1-(3,5-difluoroanilino)butan-2-ol
CID 60885411
N-(2,2-difluoroethyl)-3,5-difluoroaniline
CID 60922925
N'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine
CID 79692011
5-fluoro-3-N-(2-methylbutyl)benzene-1,3-diamine
CID 62698705
3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride
CID 47002202
3-bromo-N-(2,2-difluoroethyl)-5-methylaniline
CID 107583058
1-(3,5-difluoroanilino)propan-2-ol
CID 60886197
3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053885
[4-[(3-fluoro-5-methylanilino)methyl]phenyl]methanol
CID 110006750

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-fluorobutyl)-5-methylaniline?
The IUPAC name of 3-fluoro-N-(2-fluorobutyl)-5-methylaniline (CID 131160310) is 3-fluoro-N-(2-fluorobutyl)-5-methylaniline.
What is the SMILES notation for 3-fluoro-N-(2-fluorobutyl)-5-methylaniline?
The canonical SMILES for 3-fluoro-N-(2-fluorobutyl)-5-methylaniline is CCC(F)CNc1cc(C)cc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-fluorobutyl)-5-methylaniline?
The InChIKey is BIVYFVZCBRHHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-3-9(12)7-14-11-5-8(2)4-10(13)6-11/h4-6,9,14H,3,7H2,1-2H3.
What are the key properties of 3-fluoro-N-(2-fluorobutyl)-5-methylaniline?
3-fluoro-N-(2-fluorobutyl)-5-methylaniline has a molecular weight of 199.24 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-fluorobutyl)-5-methylaniline is sourced from PubChem (CID 131160310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).