3-fluoro-N-(2-fluorobutyl)-4-methylaniline

C11H15F2N — CID 130662936

IUPAC3-fluoro-N-(2-fluorobutyl)-4-methylaniline
SMILESCCC(F)CNc1ccc(C)c(F)c1
InChIInChI=1S/C11H15F2N/c1-3-9(12)7-14-10-5-4-8(2)11(13)6-10/h4-6,9,14H,3,7H2,1-2H3
InChIKeyRFCMGIPAZAFRFF-UHFFFAOYSA-N
MW199.24 g/mol
LogP3.29
Rot. Bonds4

About 3-fluoro-N-(2-fluorobutyl)-4-methylaniline

3-fluoro-N-(2-fluorobutyl)-4-methylaniline (PubChem CID 130662936) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 3-fluoro-N-(2-fluorobutyl)-4-methylaniline.

Molecular Properties

Compound Name3-fluoro-N-(2-fluorobutyl)-4-methylaniline
PubChem CID130662936
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name3-fluoro-N-(2-fluorobutyl)-4-methylaniline
SMILESCCC(F)CNc1ccc(C)c(F)c1
InChIInChI=1S/C11H15F2N/c1-3-9(12)7-14-10-5-4-8(2)11(13)6-10/h4-6,9,14H,3,7H2,1-2H3
InChIKeyRFCMGIPAZAFRFF-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-(3-fluoro-4-methylanilino)-2-methylpropan-1-ol
CID 115871883
N-decyl-3-fluoro-4-methylaniline
CID 63488478
N'-(3,4-dimethylphenyl)-2-fluoropropane-1,3-diamine;ethane
CID 145194727
N-[(2,6-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
CID 78997610
N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
CID 43764440
N'-tert-butyl-N-(3-fluoro-4-methylphenyl)ethane-1,2-diamine
CID 107444586
N'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 59230672
(3-fluoro-4-methylphenyl)hydrazine;hydrochloride
CID 44557932
1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol
CID 60901653
N-[(1-ethylpyrrol-3-yl)methyl]-3-fluoro-4-methylaniline
CID 66400274
3-fluoro-N-heptan-3-yl-4-methylaniline
CID 63944501
1-(3-fluoro-4-methylanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989211

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-fluorobutyl)-4-methylaniline?
The IUPAC name of 3-fluoro-N-(2-fluorobutyl)-4-methylaniline (CID 130662936) is 3-fluoro-N-(2-fluorobutyl)-4-methylaniline.
What is the SMILES notation for 3-fluoro-N-(2-fluorobutyl)-4-methylaniline?
The canonical SMILES for 3-fluoro-N-(2-fluorobutyl)-4-methylaniline is CCC(F)CNc1ccc(C)c(F)c1.
What is the InChIKey of 3-fluoro-N-(2-fluorobutyl)-4-methylaniline?
The InChIKey is RFCMGIPAZAFRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-3-9(12)7-14-10-5-4-8(2)11(13)6-10/h4-6,9,14H,3,7H2,1-2H3.
What are the key properties of 3-fluoro-N-(2-fluorobutyl)-4-methylaniline?
3-fluoro-N-(2-fluorobutyl)-4-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)-4-methylaniline is sourced from PubChem (CID 130662936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).