N-[(E)-(2,4-dibromo-3-methoxyphenyl)methylideneamino]ethanamine;hydrochloride

C10H13Br2ClN2O — CID 171437254

IUPACN-[(E)-(2,4-dibromo-3-methoxyphenyl)methylideneamino]ethanamine;hydrochloride
SMILESCCN/N=C/c1ccc(Br)c(OC)c1Br.Cl
InChIInChI=1S/C10H12Br2N2O.ClH/c1-3-13-14-6-7-4-5-8(11)10(15-2)9(7)12;/h4-6,13H,3H2,1-2H3;1H/b14-6+;
InChIKeyKIHKLBSVCBPHST-JSSTZBRYSA-N
MW372.49 g/mol
LogP3.59
Rot. Bonds4

About N-[(E)-(2,4-dibromo-3-methoxyphenyl)methylideneamino]ethanamine;hydrochloride

N-[(E)-(2,4-dibromo-3-methoxyphenyl)methylideneamino]ethanamine;hydrochloride (PubChem CID 171437254) has the molecular formula C10H13Br2ClN2O and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[(E)-(2,4-dibromo-3-methoxyphenyl)methylideneamino]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(E)-(2,4-dibromo-3-methoxyphenyl)methylideneamino]ethanamine;hydrochloride
PubChem CID171437254
Molecular FormulaC10H13Br2ClN2O
Molecular Weight372.49 g/mol
Exact Mass369.91
IUPAC NameN-[(E)-(2,4-dibromo-3-methoxyphenyl)methylideneamino]ethanamine;hydrochloride
SMILESCCN/N=C/c1ccc(Br)c(OC)c1Br.Cl
InChIInChI=1S/C10H12Br2N2O.ClH/c1-3-13-14-6-7-4-5-8(11)10(15-2)9(7)12;/h4-6,13H,3H2,1-2H3;1H/b14-6+;
InChIKeyKIHKLBSVCBPHST-JSSTZBRYSA-N
XLogP3.59
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.59
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

N-[(E)-(2,4-dibromo-3-methoxyphenyl)methylideneamino]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 171436867
N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]aniline
CID 110504916
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
N-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline
CID 169384109
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 110515468
N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]ethanamine
CID 67916512
N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 110509184
N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide
CID 110516279
1-phenyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]methanamine
CID 3287826
N-[(E)-(3,5-dibromo-2,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 110505661
N-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]aniline
CID 5223748

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dibromo-3-methoxyphenyl)methylideneamino]ethanamine;hydrochloride?
The IUPAC name of N-[(E)-(2,4-dibromo-3-methoxyphenyl)methylideneamino]ethanamine;hydrochloride (CID 171437254) is N-[(E)-(2,4-dibromo-3-methoxyphenyl)methylideneamino]ethanamine;hydrochloride.
What is the SMILES notation for N-[(E)-(2,4-dibromo-3-methoxyphenyl)methylideneamino]ethanamine;hydrochloride?
The canonical SMILES for N-[(E)-(2,4-dibromo-3-methoxyphenyl)methylideneamino]ethanamine;hydrochloride is CCN/N=C/c1ccc(Br)c(OC)c1Br.Cl.
What is the InChIKey of N-[(E)-(2,4-dibromo-3-methoxyphenyl)methylideneamino]ethanamine;hydrochloride?
The InChIKey is KIHKLBSVCBPHST-JSSTZBRYSA-N. The full InChI is InChI=1S/C10H12Br2N2O.ClH/c1-3-13-14-6-7-4-5-8(11)10(15-2)9(7)12;/h4-6,13H,3H2,1-2H3;1H/b14-6+;.
What are the key properties of N-[(E)-(2,4-dibromo-3-methoxyphenyl)methylideneamino]ethanamine;hydrochloride?
N-[(E)-(2,4-dibromo-3-methoxyphenyl)methylideneamino]ethanamine;hydrochloride has a molecular weight of 372.49 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dibromo-3-methoxyphenyl)methylideneamino]ethanamine;hydrochloride is sourced from PubChem (CID 171437254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).