(E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]prop-1-en-2-amine

C13H11Cl2NO — CID 70655963

IUPAC(E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]prop-1-en-2-amine
SMILESC/C(N)=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C13H11Cl2NO/c1-8(16)6-10-3-5-13(17-10)9-2-4-11(14)12(15)7-9/h2-7H,16H2,1H3/b8-6+
InChIKeyHXYWTVOSLRBCQD-SOFGYWHQSA-N
MW268.14 g/mol
LogP4.57
Rot. Bonds2

About (E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]prop-1-en-2-amine

(E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]prop-1-en-2-amine (PubChem CID 70655963) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is (E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]prop-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]prop-1-en-2-amine
PubChem CID70655963
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name(E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]prop-1-en-2-amine
SMILESC/C(N)=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C13H11Cl2NO/c1-8(16)6-10-3-5-13(17-10)9-2-4-11(14)12(15)7-9/h2-7H,16H2,1H3/b8-6+
InChIKeyHXYWTVOSLRBCQD-SOFGYWHQSA-N
XLogP4.57
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(NZ)-N-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
CID 5343283
2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]propanedinitrile
CID 800300
2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]propanedinitrile;hydrate
CID 51057512
(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-methylsulfonylprop-2-enenitrile
CID 8828437
2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1,3-diphenylpropane-1,3-dione
CID 3345300
(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(4-iodophenyl)prop-2-enenitrile
CID 126374267
(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 9212327
(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile
CID 34260057
1-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-(2-hydroxyethyl)thiourea
CID 87653700
2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methylphenol
CID 7209690
(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile
CID 18231308
methyl 5-[5-(3-amino-2-cyano-3-oxoprop-1-enyl)furan-2-yl]-2-chlorobenzoate
CID 630273

Frequently Asked Questions

What is the IUPAC name of (E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]prop-1-en-2-amine?
The IUPAC name of (E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]prop-1-en-2-amine (CID 70655963) is (E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]prop-1-en-2-amine.
What is the SMILES notation for (E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]prop-1-en-2-amine?
The canonical SMILES for (E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]prop-1-en-2-amine is C/C(N)=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of (E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]prop-1-en-2-amine?
The InChIKey is HXYWTVOSLRBCQD-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c1-8(16)6-10-3-5-13(17-10)9-2-4-11(14)12(15)7-9/h2-7H,16H2,1H3/b8-6+.
What are the key properties of (E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]prop-1-en-2-amine?
(E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]prop-1-en-2-amine has a molecular weight of 268.14 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]prop-1-en-2-amine is sourced from PubChem (CID 70655963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).