(4-bromophenyl)-(3-bromo-2,4,6-trimethylphenyl)methanimine

C16H15Br2N — CID 11682385

IUPAC(4-bromophenyl)-(3-bromo-2,4,6-trimethylphenyl)methanimine
SMILES[H]/N=C(\c1ccc(Br)cc1)c1c(C)cc(C)c(Br)c1C
InChIInChI=1S/C16H15Br2N/c1-9-8-10(2)15(18)11(3)14(9)16(19)12-4-6-13(17)7-5-12/h4-8,19H,1-3H3/b19-16+
InChIKeyFKVJPSZTFHEGCV-KNTRCKAVSA-N
MW381.11 g/mol
LogP5.55
Rot. Bonds2

About (4-bromophenyl)-(3-bromo-2,4,6-trimethylphenyl)methanimine

(4-bromophenyl)-(3-bromo-2,4,6-trimethylphenyl)methanimine (PubChem CID 11682385) has the molecular formula C16H15Br2N and a molecular weight of 381.11 g/mol. Its IUPAC name is (4-bromophenyl)-(3-bromo-2,4,6-trimethylphenyl)methanimine.

Molecular Properties

Compound Name(4-bromophenyl)-(3-bromo-2,4,6-trimethylphenyl)methanimine
PubChem CID11682385
Molecular FormulaC16H15Br2N
Molecular Weight381.11 g/mol
Exact Mass378.96
IUPAC Name(4-bromophenyl)-(3-bromo-2,4,6-trimethylphenyl)methanimine
SMILES[H]/N=C(\c1ccc(Br)cc1)c1c(C)cc(C)c(Br)c1C
InChIInChI=1S/C16H15Br2N/c1-9-8-10(2)15(18)11(3)14(9)16(19)12-4-6-13(17)7-5-12/h4-8,19H,1-3H3/b19-16+
InChIKeyFKVJPSZTFHEGCV-KNTRCKAVSA-N
XLogP5.55
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.11
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[1-(9-bromophenanthren-3-yl)ethylidene]hydroxylamine
CID 5351779
(NZ)-N-[1-(9-bromophenanthren-3-yl)ethylidene]hydroxylamine
CID 5355750
1,3,5-Tribromo-2-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]benzene
CID 11752642
2,2'-Dibromo-4,4',5,5'-tetramethyl-1,1'-biphenyl
CID 15855234
1-(9-Bromo-3-phenanthryl)ethanone oxime
CID 239418
(NE)-N-[1-(9-bromophenanthren-3-yl)propylidene]hydroxylamine
CID 9569469
3-Bromo-2,4,6-trimethylbiphenyl
CID 59609431
(2-Bromophenyl)-phenylmethanimine
CID 101497406
5-Bromo-2-[(4-bromo-2,6-dimethylphenyl)-diazomethyl]-1,3-dimethylbenzene
CID 85813397
4-Bromo-2,4',5-trimethyl-1,1'-biphenyl
CID 86068842
1-(2-bromo-4,5-dimethylphenyl)-3-phenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-yn-1-imine
CID 135002094
[(2-Bromophenyl)-phenylmethylidene]azanium
CID 135087164

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(3-bromo-2,4,6-trimethylphenyl)methanimine?
The IUPAC name of (4-bromophenyl)-(3-bromo-2,4,6-trimethylphenyl)methanimine (CID 11682385) is (4-bromophenyl)-(3-bromo-2,4,6-trimethylphenyl)methanimine.
What is the SMILES notation for (4-bromophenyl)-(3-bromo-2,4,6-trimethylphenyl)methanimine?
The canonical SMILES for (4-bromophenyl)-(3-bromo-2,4,6-trimethylphenyl)methanimine is [H]/N=C(\c1ccc(Br)cc1)c1c(C)cc(C)c(Br)c1C.
What is the InChIKey of (4-bromophenyl)-(3-bromo-2,4,6-trimethylphenyl)methanimine?
The InChIKey is FKVJPSZTFHEGCV-KNTRCKAVSA-N. The full InChI is InChI=1S/C16H15Br2N/c1-9-8-10(2)15(18)11(3)14(9)16(19)12-4-6-13(17)7-5-12/h4-8,19H,1-3H3/b19-16+.
What are the key properties of (4-bromophenyl)-(3-bromo-2,4,6-trimethylphenyl)methanimine?
(4-bromophenyl)-(3-bromo-2,4,6-trimethylphenyl)methanimine has a molecular weight of 381.11 g/mol, XLogP of 5.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(3-bromo-2,4,6-trimethylphenyl)methanimine is sourced from PubChem (CID 11682385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).