4-bromo-2-methyl-N-(3,3,3-trifluoropropyl)aniline

C10H11BrF3N — CID 64554167

IUPAC4-bromo-2-methyl-N-(3,3,3-trifluoropropyl)aniline
SMILESCc1cc(Br)ccc1NCCC(F)(F)F
InChIInChI=1S/C10H11BrF3N/c1-7-6-8(11)2-3-9(7)15-5-4-10(12,13)14/h2-3,6,15H,4-5H2,1H3
InChIKeyMFXCJWVZGVSXIC-UHFFFAOYSA-N
MW282.10 g/mol
LogP4.12
Rot. Bonds3

About 4-bromo-2-methyl-N-(3,3,3-trifluoropropyl)aniline

4-bromo-2-methyl-N-(3,3,3-trifluoropropyl)aniline (PubChem CID 64554167) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is 4-bromo-2-methyl-N-(3,3,3-trifluoropropyl)aniline.

Molecular Properties

Compound Name4-bromo-2-methyl-N-(3,3,3-trifluoropropyl)aniline
PubChem CID64554167
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name4-bromo-2-methyl-N-(3,3,3-trifluoropropyl)aniline
SMILESCc1cc(Br)ccc1NCCC(F)(F)F
InChIInChI=1S/C10H11BrF3N/c1-7-6-8(11)2-3-9(7)15-5-4-10(12,13)14/h2-3,6,15H,4-5H2,1H3
InChIKeyMFXCJWVZGVSXIC-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(3-fluoropropyl)-2-methylaniline
CID 81105381
3-methyl-4-(3,3,3-trifluoropropylamino)benzoic acid
CID 63227444
5-bromo-2-methoxy-N-(3,3,3-trifluoropropyl)aniline
CID 64554999
4-bromo-N-ethyl-2-methylaniline
CID 23053407
4-bromo-N-heptyl-2-methylaniline
CID 43129195
2,4-dibromo-N-(4,4,4-trifluorobutyl)aniline
CID 115513613
4-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-2-methylaniline
CID 105370653
4-bromo-2-methyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 55199010
4-bromo-N-(4,4,4-trifluorobutyl)-2-(trifluoromethyl)aniline
CID 115513559
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide
CID 24701652
4-bromo-N-(3-ethylsulfonylpropyl)-2-methylaniline
CID 65094187
N-(4-bromo-2-methylphenyl)-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 109473504

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-N-(3,3,3-trifluoropropyl)aniline?
The IUPAC name of 4-bromo-2-methyl-N-(3,3,3-trifluoropropyl)aniline (CID 64554167) is 4-bromo-2-methyl-N-(3,3,3-trifluoropropyl)aniline.
What is the SMILES notation for 4-bromo-2-methyl-N-(3,3,3-trifluoropropyl)aniline?
The canonical SMILES for 4-bromo-2-methyl-N-(3,3,3-trifluoropropyl)aniline is Cc1cc(Br)ccc1NCCC(F)(F)F.
What is the InChIKey of 4-bromo-2-methyl-N-(3,3,3-trifluoropropyl)aniline?
The InChIKey is MFXCJWVZGVSXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-7-6-8(11)2-3-9(7)15-5-4-10(12,13)14/h2-3,6,15H,4-5H2,1H3.
What are the key properties of 4-bromo-2-methyl-N-(3,3,3-trifluoropropyl)aniline?
4-bromo-2-methyl-N-(3,3,3-trifluoropropyl)aniline has a molecular weight of 282.10 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-N-(3,3,3-trifluoropropyl)aniline is sourced from PubChem (CID 64554167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).