3-fluoro-5-methyl-N-(2-methylpropyl)aniline

C11H16FN — CID 75356152

IUPAC3-fluoro-5-methyl-N-(2-methylpropyl)aniline
SMILESCc1cc(F)cc(NCC(C)C)c1
InChIInChI=1S/C11H16FN/c1-8(2)7-13-11-5-9(3)4-10(12)6-11/h4-6,8,13H,7H2,1-3H3
InChIKeyQJTNITDYBZEAEG-UHFFFAOYSA-N
MW181.25 g/mol
LogP3.20
Rot. Bonds3

About 3-fluoro-5-methyl-N-(2-methylpropyl)aniline

3-fluoro-5-methyl-N-(2-methylpropyl)aniline (PubChem CID 75356152) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-(2-methylpropyl)aniline
PubChem CID75356152
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name3-fluoro-5-methyl-N-(2-methylpropyl)aniline
SMILESCc1cc(F)cc(NCC(C)C)c1
InChIInChI=1S/C11H16FN/c1-8(2)7-13-11-5-9(3)4-10(12)6-11/h4-6,8,13H,7H2,1-3H3
InChIKeyQJTNITDYBZEAEG-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride
CID 47002202
(2R)-1-(3-fluoro-5-methylanilino)propan-2-ol
CID 106932274
3-fluoro-N-(2-fluorobutyl)-5-methylaniline
CID 131160310
3,4,5-trifluoro-N-(2-methylpropyl)aniline
CID 62809579
N'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine
CID 79692011
1-(3,5-difluoroanilino)propan-2-ol
CID 60886197
1-(3-fluoro-5-methylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 79055009
3,5-dibromo-N-(2-methylpropyl)aniline
CID 154120132
1-(3,5-dimethylanilino)propan-2-ol
CID 60886004
5-fluoro-N-(2-methylpropyl)pyridin-3-amine
CID 130485397
N-(2,2-difluoroethyl)-3,5-difluoroaniline
CID 60922925
5-fluoro-3-N-(2-methylbutyl)benzene-1,3-diamine
CID 62698705

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-(2-methylpropyl)aniline?
The IUPAC name of 3-fluoro-5-methyl-N-(2-methylpropyl)aniline (CID 75356152) is 3-fluoro-5-methyl-N-(2-methylpropyl)aniline.
What is the SMILES notation for 3-fluoro-5-methyl-N-(2-methylpropyl)aniline?
The canonical SMILES for 3-fluoro-5-methyl-N-(2-methylpropyl)aniline is Cc1cc(F)cc(NCC(C)C)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-(2-methylpropyl)aniline?
The InChIKey is QJTNITDYBZEAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-8(2)7-13-11-5-9(3)4-10(12)6-11/h4-6,8,13H,7H2,1-3H3.
What are the key properties of 3-fluoro-5-methyl-N-(2-methylpropyl)aniline?
3-fluoro-5-methyl-N-(2-methylpropyl)aniline has a molecular weight of 181.25 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-(2-methylpropyl)aniline is sourced from PubChem (CID 75356152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).