[(Z)-3-amino-1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enylidene]-methylazanium

C17H17Cl2N2O+ — CID 168886860

IUPAC[(Z)-3-amino-1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enylidene]-methylazanium
SMILESC/[NH+]=C(/C=C\N)c1cccc(OCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O/c1-21-17(8-9-20)12-4-2-5-13(10-12)22-11-14-15(18)6-3-7-16(14)19/h2-10H,11,20H2,1H3/p+1/b9-8-,21-17-
InChIKeyZKOWRIPQGMVRPG-MIUZONMXSA-O
MW336.24 g/mol
LogP2.54
Rot. Bonds5

About [(Z)-3-amino-1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enylidene]-methylazanium

[(Z)-3-amino-1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enylidene]-methylazanium (PubChem CID 168886860) has the molecular formula C17H17Cl2N2O+ and a molecular weight of 336.24 g/mol. Its IUPAC name is [(Z)-3-amino-1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enylidene]-methylazanium.

Molecular Properties

Compound Name[(Z)-3-amino-1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enylidene]-methylazanium
PubChem CID168886860
Molecular FormulaC17H17Cl2N2O+
Molecular Weight336.24 g/mol
Exact Mass335.07
IUPAC Name[(Z)-3-amino-1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enylidene]-methylazanium
SMILESC/[NH+]=C(/C=C\N)c1cccc(OCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O/c1-21-17(8-9-20)12-4-2-5-13(10-12)22-11-14-15(18)6-3-7-16(14)19/h2-10H,11,20H2,1H3/p+1/b9-8-,21-17-
InChIKeyZKOWRIPQGMVRPG-MIUZONMXSA-O
XLogP2.54
TPSA49.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-amino-1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enylidene]-methylazanium?
The IUPAC name of [(Z)-3-amino-1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enylidene]-methylazanium (CID 168886860) is [(Z)-3-amino-1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enylidene]-methylazanium.
What is the SMILES notation for [(Z)-3-amino-1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enylidene]-methylazanium?
The canonical SMILES for [(Z)-3-amino-1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enylidene]-methylazanium is C/[NH+]=C(/C=C\N)c1cccc(OCc2c(Cl)cccc2Cl)c1.
What is the InChIKey of [(Z)-3-amino-1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enylidene]-methylazanium?
The InChIKey is ZKOWRIPQGMVRPG-MIUZONMXSA-O. The full InChI is InChI=1S/C17H16Cl2N2O/c1-21-17(8-9-20)12-4-2-5-13(10-12)22-11-14-15(18)6-3-7-16(14)19/h2-10H,11,20H2,1H3/p+1/b9-8-,21-17-.
What are the key properties of [(Z)-3-amino-1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enylidene]-methylazanium?
[(Z)-3-amino-1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enylidene]-methylazanium has a molecular weight of 336.24 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-amino-1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enylidene]-methylazanium is sourced from PubChem (CID 168886860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).