(Z)-2-(2-bromophenyl)-1-(4-tert-butylphenyl)-N-chloroethanimine

C18H19BrClN — CID 59301476

IUPAC(Z)-2-(2-bromophenyl)-1-(4-tert-butylphenyl)-N-chloroethanimine
SMILESCC(C)(C)c1ccc(/C(Cc2ccccc2Br)=N\Cl)cc1
InChIInChI=1S/C18H19BrClN/c1-18(2,3)15-10-8-13(9-11-15)17(21-20)12-14-6-4-5-7-16(14)19/h4-11H,12H2,1-3H3/b21-17-
InChIKeyVZIBZHXZGYMDKG-FXBPSFAMSA-N
MW364.71 g/mol
LogP5.93
Rot. Bonds3

About (Z)-2-(2-bromophenyl)-1-(4-tert-butylphenyl)-N-chloroethanimine

(Z)-2-(2-bromophenyl)-1-(4-tert-butylphenyl)-N-chloroethanimine (PubChem CID 59301476) has the molecular formula C18H19BrClN and a molecular weight of 364.71 g/mol. Its IUPAC name is (Z)-2-(2-bromophenyl)-1-(4-tert-butylphenyl)-N-chloroethanimine.

Molecular Properties

Compound Name(Z)-2-(2-bromophenyl)-1-(4-tert-butylphenyl)-N-chloroethanimine
PubChem CID59301476
Molecular FormulaC18H19BrClN
Molecular Weight364.71 g/mol
Exact Mass363.04
IUPAC Name(Z)-2-(2-bromophenyl)-1-(4-tert-butylphenyl)-N-chloroethanimine
SMILESCC(C)(C)c1ccc(/C(Cc2ccccc2Br)=N\Cl)cc1
InChIInChI=1S/C18H19BrClN/c1-18(2,3)15-10-8-13(9-11-15)17(21-20)12-14-6-4-5-7-16(14)19/h4-11H,12H2,1-3H3/b21-17-
InChIKeyVZIBZHXZGYMDKG-FXBPSFAMSA-N
XLogP5.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.71
LogP ≤ 55.93
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

1-bromo-2-[(4-tert-butylphenyl)methyl]benzene
CID 171716628
1-(2-bromophenyl)-3,3-dimethylbutan-2-one
CID 59617524
2-(2-bromophenyl)-1-(4-tert-butylphenyl)ethanamine
CID 63419920
2-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 24723916
[2-[(2-bromophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate
CID 71820721
1-(2-bromophenyl)-2-phenylpropan-2-ol
CID 60798344
(NE)-N-[1-(2-bromophenyl)propan-2-ylidene]hydroxylamine
CID 89415418
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877
2-(2-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide
CID 113090396
4-[(2-bromophenyl)methyl]benzoic acid
CID 116927223
2-(2-bromophenyl)acetyl bromide
CID 87290551
[1-(2-bromophenyl)-2-methylpropan-2-yl]azanium
CID 156884808

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2-bromophenyl)-1-(4-tert-butylphenyl)-N-chloroethanimine?
The IUPAC name of (Z)-2-(2-bromophenyl)-1-(4-tert-butylphenyl)-N-chloroethanimine (CID 59301476) is (Z)-2-(2-bromophenyl)-1-(4-tert-butylphenyl)-N-chloroethanimine.
What is the SMILES notation for (Z)-2-(2-bromophenyl)-1-(4-tert-butylphenyl)-N-chloroethanimine?
The canonical SMILES for (Z)-2-(2-bromophenyl)-1-(4-tert-butylphenyl)-N-chloroethanimine is CC(C)(C)c1ccc(/C(Cc2ccccc2Br)=N\Cl)cc1.
What is the InChIKey of (Z)-2-(2-bromophenyl)-1-(4-tert-butylphenyl)-N-chloroethanimine?
The InChIKey is VZIBZHXZGYMDKG-FXBPSFAMSA-N. The full InChI is InChI=1S/C18H19BrClN/c1-18(2,3)15-10-8-13(9-11-15)17(21-20)12-14-6-4-5-7-16(14)19/h4-11H,12H2,1-3H3/b21-17-.
What are the key properties of (Z)-2-(2-bromophenyl)-1-(4-tert-butylphenyl)-N-chloroethanimine?
(Z)-2-(2-bromophenyl)-1-(4-tert-butylphenyl)-N-chloroethanimine has a molecular weight of 364.71 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-bromophenyl)-1-(4-tert-butylphenyl)-N-chloroethanimine is sourced from PubChem (CID 59301476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).