1-(2-bromophenyl)-N-butylmethanimine

C11H14BrN — CID 67388948

IUPAC1-(2-bromophenyl)-N-butylmethanimine
SMILESCCCC/N=C/c1ccccc1Br
InChIInChI=1S/C11H14BrN/c1-2-3-8-13-9-10-6-4-5-7-11(10)12/h4-7,9H,2-3,8H2,1H3/b13-9+
InChIKeyVOEKTCRGIUQZEU-UKTHLTGXSA-N
MW240.14 g/mol
LogP3.67
Rot. Bonds4

About 1-(2-bromophenyl)-N-butylmethanimine

1-(2-bromophenyl)-N-butylmethanimine (PubChem CID 67388948) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-butylmethanimine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-butylmethanimine
PubChem CID67388948
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name1-(2-bromophenyl)-N-butylmethanimine
SMILESCCCC/N=C/c1ccccc1Br
InChIInChI=1S/C11H14BrN/c1-2-3-8-13-9-10-6-4-5-7-11(10)12/h4-7,9H,2-3,8H2,1H3/b13-9+
InChIKeyVOEKTCRGIUQZEU-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

N-butyl-1-[2-(2-methylprop-1-enyl)phenyl]methanimine
CID 100996603
1-(2-bromophenyl)-N-(2-diphenylphosphanylethyl)methanimine
CID 122654232
1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-pentylmethanimine
CID 135188620
1-bromo-2-oct-1-enylbenzene
CID 54357749
(NZ)-N-[(2-bromophenyl)methylidene]hydroxylamine
CID 5399039
N-[(2-bromophenyl)methylidene]hydroxylamine
CID 736214
(2-bromophenyl)methylidenehydrazine
CID 73079892
2-[4-[(2-sulfanylphenyl)methylideneamino]butyliminomethyl]benzenethiol
CID 136866170
2-(3-methylselanylpropyliminomethyl)phenol
CID 136817271
sodium 2-(propyliminomethyl)phenolate
CID 102119842
oxovanadium;bis(2-(propyliminomethyl)phenol)
CID 5242411
1-(2-propoxyphenyl)-N-[2-[(2-propoxyphenyl)methylideneamino]ethyl]methanimine
CID 67897520

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-butylmethanimine?
The IUPAC name of 1-(2-bromophenyl)-N-butylmethanimine (CID 67388948) is 1-(2-bromophenyl)-N-butylmethanimine.
What is the SMILES notation for 1-(2-bromophenyl)-N-butylmethanimine?
The canonical SMILES for 1-(2-bromophenyl)-N-butylmethanimine is CCCC/N=C/c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-butylmethanimine?
The InChIKey is VOEKTCRGIUQZEU-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H14BrN/c1-2-3-8-13-9-10-6-4-5-7-11(10)12/h4-7,9H,2-3,8H2,1H3/b13-9+.
What are the key properties of 1-(2-bromophenyl)-N-butylmethanimine?
1-(2-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-(2-bromophenyl)-N-butylmethanimine is sourced from PubChem (CID 67388948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).