4-[(E)-2-bromo-3-(2,5-dimethoxyphenyl)prop-2-enyl]-2-N,2-N-dimethylbenzene-1,2-diamine

C19H23BrN2O2 — CID 141071516

IUPAC4-[(E)-2-bromo-3-(2,5-dimethoxyphenyl)prop-2-enyl]-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCOc1ccc(OC)c(/C=C(/Br)Cc2ccc(N)c(N(C)C)c2)c1
InChIInChI=1S/C19H23BrN2O2/c1-22(2)18-10-13(5-7-17(18)21)9-15(20)11-14-12-16(23-3)6-8-19(14)24-4/h5-8,10-12H,9,21H2,1-4H3/b15-11+
InChIKeyOLWZJDLIIFKISW-RVDMUPIBSA-N
MW391.31 g/mol
LogP4.33
Rot. Bonds6

About 4-[(E)-2-bromo-3-(2,5-dimethoxyphenyl)prop-2-enyl]-2-N,2-N-dimethylbenzene-1,2-diamine

4-[(E)-2-bromo-3-(2,5-dimethoxyphenyl)prop-2-enyl]-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 141071516) has the molecular formula C19H23BrN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 4-[(E)-2-bromo-3-(2,5-dimethoxyphenyl)prop-2-enyl]-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-[(E)-2-bromo-3-(2,5-dimethoxyphenyl)prop-2-enyl]-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID141071516
Molecular FormulaC19H23BrN2O2
Molecular Weight391.31 g/mol
Exact Mass390.09
IUPAC Name4-[(E)-2-bromo-3-(2,5-dimethoxyphenyl)prop-2-enyl]-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCOc1ccc(OC)c(/C=C(/Br)Cc2ccc(N)c(N(C)C)c2)c1
InChIInChI=1S/C19H23BrN2O2/c1-22(2)18-10-13(5-7-17(18)21)9-15(20)11-14-12-16(23-3)6-8-19(14)24-4/h5-8,10-12H,9,21H2,1-4H3/b15-11+
InChIKeyOLWZJDLIIFKISW-RVDMUPIBSA-N
XLogP4.33
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-amino-3-(dimethylamino)phenyl]-2-bromo-3-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 91497538
(E)-1-(4-amino-3-ethoxyphenyl)-2-bromo-3-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 87978479
ethyl (E)-3-(2,5-dimethoxyphenyl)-2-methylprop-2-enoate
CID 10955965
4-[(2,5-dimethoxyphenyl)methyl]-2-methylaniline
CID 39359260
(E)-1-[4-amino-3-(dimethylamino)phenyl]-2-chloro-3-(6-methoxy-1,3-benzodioxol-5-yl)prop-2-en-1-one
CID 87978849
2-(2,2-dibromoethenyl)-5-methoxyaniline
CID 164872734
1-[4-amino-3-(dimethylamino)phenyl]-2-chloro-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 91079085
3-(2,5-dimethoxyphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 170806610
2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide
CID 130276414
1,4-dimethoxy-2-[(E)-2-nitrobut-1-enyl]benzene
CID 55016919
N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 2755791
(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 7958598

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-bromo-3-(2,5-dimethoxyphenyl)prop-2-enyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-[(E)-2-bromo-3-(2,5-dimethoxyphenyl)prop-2-enyl]-2-N,2-N-dimethylbenzene-1,2-diamine (CID 141071516) is 4-[(E)-2-bromo-3-(2,5-dimethoxyphenyl)prop-2-enyl]-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-[(E)-2-bromo-3-(2,5-dimethoxyphenyl)prop-2-enyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-[(E)-2-bromo-3-(2,5-dimethoxyphenyl)prop-2-enyl]-2-N,2-N-dimethylbenzene-1,2-diamine is COc1ccc(OC)c(/C=C(/Br)Cc2ccc(N)c(N(C)C)c2)c1.
What is the InChIKey of 4-[(E)-2-bromo-3-(2,5-dimethoxyphenyl)prop-2-enyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is OLWZJDLIIFKISW-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H23BrN2O2/c1-22(2)18-10-13(5-7-17(18)21)9-15(20)11-14-12-16(23-3)6-8-19(14)24-4/h5-8,10-12H,9,21H2,1-4H3/b15-11+.
What are the key properties of 4-[(E)-2-bromo-3-(2,5-dimethoxyphenyl)prop-2-enyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
4-[(E)-2-bromo-3-(2,5-dimethoxyphenyl)prop-2-enyl]-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 391.31 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-bromo-3-(2,5-dimethoxyphenyl)prop-2-enyl]-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 141071516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).