1-(4-bromophenyl)-N-tert-butylmethanimine

C11H14BrN — CID 13133205

IUPAC1-(4-bromophenyl)-N-tert-butylmethanimine
SMILESCC(C)(C)/N=C/c1ccc(Br)cc1
InChIInChI=1S/C11H14BrN/c1-11(2,3)13-8-9-4-6-10(12)7-5-9/h4-8H,1-3H3/b13-8+
InChIKeyDSQRSSKUVVENCY-MDWZMJQESA-N
MW240.14 g/mol
LogP3.67
Rot. Bonds1

About 1-(4-bromophenyl)-N-tert-butylmethanimine

1-(4-bromophenyl)-N-tert-butylmethanimine (PubChem CID 13133205) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-tert-butylmethanimine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-tert-butylmethanimine
PubChem CID13133205
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name1-(4-bromophenyl)-N-tert-butylmethanimine
SMILESCC(C)(C)/N=C/c1ccc(Br)cc1
InChIInChI=1S/C11H14BrN/c1-11(2,3)13-8-9-4-6-10(12)7-5-9/h4-8H,1-3H3/b13-8+
InChIKeyDSQRSSKUVVENCY-MDWZMJQESA-N
XLogP3.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.67
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

2-Methyl-N-(phenylmethylene)-2-propanamine
CID 111240
2-[(E)-(4-bromophenyl)methylideneamino]guanidine;hydrochloride
CID 56642875
N-[(4-bromophenyl)methylidene]hydroxylamine
CID 5375575
(1E,2E)-1,2-bis(4-bromobenzylidene)hydrazine
CID 6894308
4-Bromobenzaldehyde Oxime
CID 608088
p-Bromobenzylidene-benzyl-amine
CID 525665
(2E)-2-(4-bromobenzylidene)hydrazinecarboximidamide
CID 9561657
1-(4-bromophenyl)-N-[(3E)-3-hydroxyimino-2-methylpentan-2-yl]methanimine oxide
CID 9568786
p-Bromobenzylidene-cyclohexyl-amine
CID 525667
(Z)-p-Bromobenzaldehyde oxime
CID 5375573
4-Bromo-N-[(4-bromophenyl)methylene]benzenemethanamine
CID 85840300
N-(3-bromo-2-fluoro-2-methylpropyl)-1-phenylmethanimine
CID 16081897

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-tert-butylmethanimine?
The IUPAC name of 1-(4-bromophenyl)-N-tert-butylmethanimine (CID 13133205) is 1-(4-bromophenyl)-N-tert-butylmethanimine.
What is the SMILES notation for 1-(4-bromophenyl)-N-tert-butylmethanimine?
The canonical SMILES for 1-(4-bromophenyl)-N-tert-butylmethanimine is CC(C)(C)/N=C/c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-tert-butylmethanimine?
The InChIKey is DSQRSSKUVVENCY-MDWZMJQESA-N. The full InChI is InChI=1S/C11H14BrN/c1-11(2,3)13-8-9-4-6-10(12)7-5-9/h4-8H,1-3H3/b13-8+.
What are the key properties of 1-(4-bromophenyl)-N-tert-butylmethanimine?
1-(4-bromophenyl)-N-tert-butylmethanimine has a molecular weight of 240.14 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-tert-butylmethanimine is sourced from PubChem (CID 13133205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).