[(E)-2-bromo-3-imino-3-(4-methoxyphenyl)prop-1-enyl]-methylazanium

C11H14BrN2O+ — CID 144664984

IUPAC[(E)-2-bromo-3-imino-3-(4-methoxyphenyl)prop-1-enyl]-methylazanium
SMILES[H]/N=C(C(\Br)=C/[NH2+]C)/c1ccc(OC)cc1
InChIInChI=1S/C11H13BrN2O/c1-14-7-10(12)11(13)8-3-5-9(15-2)6-4-8/h3-7,13-14H,1-2H3/p+1/b10-7+,13-11-
InChIKeyMFCQCKRBBUEGSB-LFZMHEMLSA-O
MW270.15 g/mol
LogP1.49
Rot. Bonds4

About [(E)-2-bromo-3-imino-3-(4-methoxyphenyl)prop-1-enyl]-methylazanium

[(E)-2-bromo-3-imino-3-(4-methoxyphenyl)prop-1-enyl]-methylazanium (PubChem CID 144664984) has the molecular formula C11H14BrN2O+ and a molecular weight of 270.15 g/mol. Its IUPAC name is [(E)-2-bromo-3-imino-3-(4-methoxyphenyl)prop-1-enyl]-methylazanium.

Molecular Properties

Compound Name[(E)-2-bromo-3-imino-3-(4-methoxyphenyl)prop-1-enyl]-methylazanium
PubChem CID144664984
Molecular FormulaC11H14BrN2O+
Molecular Weight270.15 g/mol
Exact Mass269.03
IUPAC Name[(E)-2-bromo-3-imino-3-(4-methoxyphenyl)prop-1-enyl]-methylazanium
SMILES[H]/N=C(C(\Br)=C/[NH2+]C)/c1ccc(OC)cc1
InChIInChI=1S/C11H13BrN2O/c1-14-7-10(12)11(13)8-3-5-9(15-2)6-4-8/h3-7,13-14H,1-2H3/p+1/b10-7+,13-11-
InChIKeyMFCQCKRBBUEGSB-LFZMHEMLSA-O
XLogP1.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)-2-(4-methoxyphenyl)ethane-1,2-diimine;methanamine
CID 143630982
3,3-dibromo-1-(4-methoxyphenyl)prop-2-en-1-one
CID 135039822
(4-methoxyphenyl)-phenylmethanimine
CID 10856767
(Z)-4-imino-3-(4-methoxyphenyl)but-2-en-2-amine
CID 142259876
(4-methoxyphenyl)-pyrrolidin-1-ylmethanimine
CID 11788947
[2-bromo-3-[4-(2-hydroxyethoxy)phenyl]buta-1,3-dienyl]-methylazanium
CID 163719185
(E)-4-iodo-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-imine
CID 130286274
6-methoxynaphthalene-2-carboximidamide
CID 3274917
dimethoxyphosphoryl-(4-methoxyphenyl)methanimine
CID 11333995
(Z)-3-bromo-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid
CID 5284375
1-methoxy-4-pent-2-en-3-ylbenzene
CID 85440848
CID 12714057
CID 12714057

Frequently Asked Questions

What is the IUPAC name of [(E)-2-bromo-3-imino-3-(4-methoxyphenyl)prop-1-enyl]-methylazanium?
The IUPAC name of [(E)-2-bromo-3-imino-3-(4-methoxyphenyl)prop-1-enyl]-methylazanium (CID 144664984) is [(E)-2-bromo-3-imino-3-(4-methoxyphenyl)prop-1-enyl]-methylazanium.
What is the SMILES notation for [(E)-2-bromo-3-imino-3-(4-methoxyphenyl)prop-1-enyl]-methylazanium?
The canonical SMILES for [(E)-2-bromo-3-imino-3-(4-methoxyphenyl)prop-1-enyl]-methylazanium is [H]/N=C(C(\Br)=C/[NH2+]C)/c1ccc(OC)cc1.
What is the InChIKey of [(E)-2-bromo-3-imino-3-(4-methoxyphenyl)prop-1-enyl]-methylazanium?
The InChIKey is MFCQCKRBBUEGSB-LFZMHEMLSA-O. The full InChI is InChI=1S/C11H13BrN2O/c1-14-7-10(12)11(13)8-3-5-9(15-2)6-4-8/h3-7,13-14H,1-2H3/p+1/b10-7+,13-11-.
What are the key properties of [(E)-2-bromo-3-imino-3-(4-methoxyphenyl)prop-1-enyl]-methylazanium?
[(E)-2-bromo-3-imino-3-(4-methoxyphenyl)prop-1-enyl]-methylazanium has a molecular weight of 270.15 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-bromo-3-imino-3-(4-methoxyphenyl)prop-1-enyl]-methylazanium is sourced from PubChem (CID 144664984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).