(1Z)-1-(2,3-dichlorophenyl)-3-methoxybuta-1,3-dien-2-amine

C11H11Cl2NO — CID 170229352

IUPAC(1Z)-1-(2,3-dichlorophenyl)-3-methoxybuta-1,3-dien-2-amine
SMILESC=C(OC)/C(N)=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C11H11Cl2NO/c1-7(15-2)10(14)6-8-4-3-5-9(12)11(8)13/h3-6H,1,14H2,2H3/b10-6-
InChIKeyTWVHQOWPLTZAEM-POHAHGRESA-N
MW244.12 g/mol
LogP3.45
Rot. Bonds3

About (1Z)-1-(2,3-dichlorophenyl)-3-methoxybuta-1,3-dien-2-amine

(1Z)-1-(2,3-dichlorophenyl)-3-methoxybuta-1,3-dien-2-amine (PubChem CID 170229352) has the molecular formula C11H11Cl2NO and a molecular weight of 244.12 g/mol. Its IUPAC name is (1Z)-1-(2,3-dichlorophenyl)-3-methoxybuta-1,3-dien-2-amine.

Molecular Properties

Compound Name(1Z)-1-(2,3-dichlorophenyl)-3-methoxybuta-1,3-dien-2-amine
PubChem CID170229352
Molecular FormulaC11H11Cl2NO
Molecular Weight244.12 g/mol
Exact Mass243.02
IUPAC Name(1Z)-1-(2,3-dichlorophenyl)-3-methoxybuta-1,3-dien-2-amine
SMILESC=C(OC)/C(N)=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C11H11Cl2NO/c1-7(15-2)10(14)6-8-4-3-5-9(12)11(8)13/h3-6H,1,14H2,2H3/b10-6-
InChIKeyTWVHQOWPLTZAEM-POHAHGRESA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(2,3-dichlorophenyl)-3-methoxybuta-1,3-dien-2-amine?
The IUPAC name of (1Z)-1-(2,3-dichlorophenyl)-3-methoxybuta-1,3-dien-2-amine (CID 170229352) is (1Z)-1-(2,3-dichlorophenyl)-3-methoxybuta-1,3-dien-2-amine.
What is the SMILES notation for (1Z)-1-(2,3-dichlorophenyl)-3-methoxybuta-1,3-dien-2-amine?
The canonical SMILES for (1Z)-1-(2,3-dichlorophenyl)-3-methoxybuta-1,3-dien-2-amine is C=C(OC)/C(N)=C/c1cccc(Cl)c1Cl.
What is the InChIKey of (1Z)-1-(2,3-dichlorophenyl)-3-methoxybuta-1,3-dien-2-amine?
The InChIKey is TWVHQOWPLTZAEM-POHAHGRESA-N. The full InChI is InChI=1S/C11H11Cl2NO/c1-7(15-2)10(14)6-8-4-3-5-9(12)11(8)13/h3-6H,1,14H2,2H3/b10-6-.
What are the key properties of (1Z)-1-(2,3-dichlorophenyl)-3-methoxybuta-1,3-dien-2-amine?
(1Z)-1-(2,3-dichlorophenyl)-3-methoxybuta-1,3-dien-2-amine has a molecular weight of 244.12 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(2,3-dichlorophenyl)-3-methoxybuta-1,3-dien-2-amine is sourced from PubChem (CID 170229352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).