N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]methanamine

C9H11BrN2O — CID 143158579

IUPACN-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]methanamine
SMILESCN/N=C/c1cc(OC)ccc1Br
InChIInChI=1S/C9H11BrN2O/c1-11-12-6-7-5-8(13-2)3-4-9(7)10/h3-6,11H,1-2H3/b12-6+
InChIKeyYXXTYQQWSCMSKA-WUXMJOGZSA-N
MW243.10 g/mol
LogP2.01
Rot. Bonds3

About N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]methanamine

N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]methanamine (PubChem CID 143158579) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]methanamine.

Molecular Properties

Compound NameN-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]methanamine
PubChem CID143158579
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC NameN-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]methanamine
SMILESCN/N=C/c1cc(OC)ccc1Br
InChIInChI=1S/C9H11BrN2O/c1-11-12-6-7-5-8(13-2)3-4-9(7)10/h3-6,11H,1-2H3/b12-6+
InChIKeyYXXTYQQWSCMSKA-WUXMJOGZSA-N
XLogP2.01
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]urea
CID 5334969
N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 1369435
2-N,5-N-bis[(2-bromo-5-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide
CID 4583740
4-bromo-N-[(2-bromo-5-methoxyphenyl)methylideneamino]benzamide
CID 1245899
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 44507388
N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]octadecanamide
CID 124632237
N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine
CID 110339403
2-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-methoxyphenol
CID 135606976
N-[(E)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]methylideneamino]methanamine
CID 53232180
(1E,4E)-1,5-bis(2-bromo-5-methoxyphenyl)penta-1,4-dien-3-one
CID 85469362
3-(2-bromo-5-methoxyphenyl)prop-2-en-1-ol
CID 169454365
N-[2-[(2E)-2-[(2-bromo-5-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 51061390

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]methanamine?
The IUPAC name of N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]methanamine (CID 143158579) is N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]methanamine.
What is the SMILES notation for N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]methanamine?
The canonical SMILES for N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]methanamine is CN/N=C/c1cc(OC)ccc1Br.
What is the InChIKey of N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]methanamine?
The InChIKey is YXXTYQQWSCMSKA-WUXMJOGZSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-11-12-6-7-5-8(13-2)3-4-9(7)10/h3-6,11H,1-2H3/b12-6+.
What are the key properties of N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]methanamine?
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]methanamine has a molecular weight of 243.10 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]methanamine is sourced from PubChem (CID 143158579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).