1-(3-bromophenyl)-N-butylmethanimine

C11H14BrN — CID 14971158

IUPAC1-(3-bromophenyl)-N-butylmethanimine
SMILESCCCC/N=C/c1cccc(Br)c1
InChIInChI=1S/C11H14BrN/c1-2-3-7-13-9-10-5-4-6-11(12)8-10/h4-6,8-9H,2-3,7H2,1H3/b13-9+
InChIKeyQSXKGSJMRGYICD-UKTHLTGXSA-N
MW240.14 g/mol
LogP3.67
Rot. Bonds4

About 1-(3-bromophenyl)-N-butylmethanimine

1-(3-bromophenyl)-N-butylmethanimine (PubChem CID 14971158) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-butylmethanimine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-butylmethanimine
PubChem CID14971158
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name1-(3-bromophenyl)-N-butylmethanimine
SMILESCCCC/N=C/c1cccc(Br)c1
InChIInChI=1S/C11H14BrN/c1-2-3-7-13-9-10-5-4-6-11(12)8-10/h4-6,8-9H,2-3,7H2,1H3/b13-9+
InChIKeyQSXKGSJMRGYICD-UKTHLTGXSA-N
XLogP3.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-(3-Bromophenyl)-2,3,4,5-tetrahydropyridine
CID 127024854
N-((3-bromophenyl)methylidene)hydroxylamine
CID 5375574
Butylamine, N-benzylidene-
CID 296031
3-Bromobenzaldehyde oxime
CID 608090
7-Bromo-3,4-dihydroisoquinoline
CID 12000034
2-[(E)-(3-bromophenyl)methylideneamino]guanidine;hydrochloride
CID 87880607
[C(Z)]-3-Bromobenzaldehyde oxime
CID 5887932
p-Bromobenzylidene-benzyl-amine
CID 525665
5-Bromo-3,4-dihydroisoquinoline
CID 97301466
N-benzyl-1-(3-bromophenyl)methanimine
CID 2796512
p-Bromobenzylidene-cyclohexyl-amine
CID 525667
CID 90668195
CID 90668195

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-butylmethanimine?
The IUPAC name of 1-(3-bromophenyl)-N-butylmethanimine (CID 14971158) is 1-(3-bromophenyl)-N-butylmethanimine.
What is the SMILES notation for 1-(3-bromophenyl)-N-butylmethanimine?
The canonical SMILES for 1-(3-bromophenyl)-N-butylmethanimine is CCCC/N=C/c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-butylmethanimine?
The InChIKey is QSXKGSJMRGYICD-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H14BrN/c1-2-3-7-13-9-10-5-4-6-11(12)8-10/h4-6,8-9H,2-3,7H2,1H3/b13-9+.
What are the key properties of 1-(3-bromophenyl)-N-butylmethanimine?
1-(3-bromophenyl)-N-butylmethanimine has a molecular weight of 240.14 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-butylmethanimine is sourced from PubChem (CID 14971158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).