1-(5-bromo-4-fluoro-2-propan-2-ylphenyl)-N-methylethanimine

C12H15BrFN — CID 123453788

IUPAC1-(5-bromo-4-fluoro-2-propan-2-ylphenyl)-N-methylethanimine
SMILESC/N=C(\C)c1cc(Br)c(F)cc1C(C)C
InChIInChI=1S/C12H15BrFN/c1-7(2)9-6-12(14)11(13)5-10(9)8(3)15-4/h5-7H,1-4H3/b15-8+
InChIKeyBRWKNHANEBJXCQ-OVCLIPMQSA-N
MW272.16 g/mol
LogP4.15
Rot. Bonds2

About 1-(5-bromo-4-fluoro-2-propan-2-ylphenyl)-N-methylethanimine

1-(5-bromo-4-fluoro-2-propan-2-ylphenyl)-N-methylethanimine (PubChem CID 123453788) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-propan-2-ylphenyl)-N-methylethanimine.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-propan-2-ylphenyl)-N-methylethanimine
PubChem CID123453788
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name1-(5-bromo-4-fluoro-2-propan-2-ylphenyl)-N-methylethanimine
SMILESC/N=C(\C)c1cc(Br)c(F)cc1C(C)C
InChIInChI=1S/C12H15BrFN/c1-7(2)9-6-12(14)11(13)5-10(9)8(3)15-4/h5-7H,1-4H3/b15-8+
InChIKeyBRWKNHANEBJXCQ-OVCLIPMQSA-N
XLogP4.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-(3-Bromo-5-fluorophenyl)-2,3,4,5-tetrahydropyridine
CID 127026746
(3S)-5-(4-bromophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
CID 139182438
6-Bromo-1-methyl-3,4-dihydroisoquinoline
CID 58416380
6-(4-Bromo-3-fluorophenyl)-2,3,4,5-tetrahydropyridine
CID 58938108
5-(4-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 66621338
5-(4-bromophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
CID 71607980
(E)-1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine
CID 88957305
4-(4-bromophenyl)-5-ethyl-1,1,1-trifluoro-N,8-dimethylnon-3-en-2-imine
CID 123472118
1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine
CID 123834003
1-(5-bromo-3-fluoro-2-methylphenyl)-N-ethylmethanimine
CID 126565616
1-(5-Bromo-2-fluorophenyl)pentan-1-imine
CID 130340186
1-(5-Bromo-2-fluorophenyl)butan-1-imine
CID 130340473

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-propan-2-ylphenyl)-N-methylethanimine?
The IUPAC name of 1-(5-bromo-4-fluoro-2-propan-2-ylphenyl)-N-methylethanimine (CID 123453788) is 1-(5-bromo-4-fluoro-2-propan-2-ylphenyl)-N-methylethanimine.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-propan-2-ylphenyl)-N-methylethanimine?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-propan-2-ylphenyl)-N-methylethanimine is C/N=C(\C)c1cc(Br)c(F)cc1C(C)C.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-propan-2-ylphenyl)-N-methylethanimine?
The InChIKey is BRWKNHANEBJXCQ-OVCLIPMQSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-7(2)9-6-12(14)11(13)5-10(9)8(3)15-4/h5-7H,1-4H3/b15-8+.
What are the key properties of 1-(5-bromo-4-fluoro-2-propan-2-ylphenyl)-N-methylethanimine?
1-(5-bromo-4-fluoro-2-propan-2-ylphenyl)-N-methylethanimine has a molecular weight of 272.16 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-propan-2-ylphenyl)-N-methylethanimine is sourced from PubChem (CID 123453788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).