(E)-3-[3-amino-2-methyl-4-(methylamino)phenyl]prop-2-enal

C11H14N2O — CID 142376340

IUPAC(E)-3-[3-amino-2-methyl-4-(methylamino)phenyl]prop-2-enal
SMILESCNc1ccc(/C=C/C=O)c(C)c1N
InChIInChI=1S/C11H14N2O/c1-8-9(4-3-7-14)5-6-10(13-2)11(8)12/h3-7,13H,12H2,1-2H3/b4-3+
InChIKeyOWWDUZKOWIQMMQ-ONEGZZNKSA-N
MW190.25 g/mol
LogP1.83
Rot. Bonds3

About (E)-3-[3-amino-2-methyl-4-(methylamino)phenyl]prop-2-enal

(E)-3-[3-amino-2-methyl-4-(methylamino)phenyl]prop-2-enal (PubChem CID 142376340) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (E)-3-[3-amino-2-methyl-4-(methylamino)phenyl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-[3-amino-2-methyl-4-(methylamino)phenyl]prop-2-enal
PubChem CID142376340
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(E)-3-[3-amino-2-methyl-4-(methylamino)phenyl]prop-2-enal
SMILESCNc1ccc(/C=C/C=O)c(C)c1N
InChIInChI=1S/C11H14N2O/c1-8-9(4-3-7-14)5-6-10(13-2)11(8)12/h3-7,13H,12H2,1-2H3/b4-3+
InChIKeyOWWDUZKOWIQMMQ-ONEGZZNKSA-N
XLogP1.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-amino-2-chloro-3-methylphenyl)prop-2-enal
CID 169459079
3-(4-amino-2,3,5-trimethylphenyl)prop-2-enal
CID 173226716
3-[(E)-3-[3-amino-2-methyl-4-(methylamino)phenyl]prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 166853189
3-(4-hydroxy-3-methoxy-2-methylphenyl)prop-2-enal
CID 173246032
3-(4-amino-2-chloro-5-methylphenyl)prop-2-enal
CID 169459077
3-(2-hydrazinylphenyl)prop-2-enal
CID 169458787
3-methyl-4-(3-oxoprop-1-enyl)benzaldehyde
CID 169459013
3-amino-4-methoxy-2-methylbenzaldehyde
CID 150747577
(Z)-3-[6-(methylamino)-1-benzofuran-7-yl]prop-2-enal
CID 169119722
(Z)-3-[4-amino-2-(dimethylamino)phenyl]prop-2-enal;ethane
CID 176996851
3-(4-acetyl-2-aminophenyl)prop-2-enal
CID 169459463
2,3-difluoro-4-(methylamino)benzaldehyde
CID 141426329

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-amino-2-methyl-4-(methylamino)phenyl]prop-2-enal?
The IUPAC name of (E)-3-[3-amino-2-methyl-4-(methylamino)phenyl]prop-2-enal (CID 142376340) is (E)-3-[3-amino-2-methyl-4-(methylamino)phenyl]prop-2-enal.
What is the SMILES notation for (E)-3-[3-amino-2-methyl-4-(methylamino)phenyl]prop-2-enal?
The canonical SMILES for (E)-3-[3-amino-2-methyl-4-(methylamino)phenyl]prop-2-enal is CNc1ccc(/C=C/C=O)c(C)c1N.
What is the InChIKey of (E)-3-[3-amino-2-methyl-4-(methylamino)phenyl]prop-2-enal?
The InChIKey is OWWDUZKOWIQMMQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-9(4-3-7-14)5-6-10(13-2)11(8)12/h3-7,13H,12H2,1-2H3/b4-3+.
What are the key properties of (E)-3-[3-amino-2-methyl-4-(methylamino)phenyl]prop-2-enal?
(E)-3-[3-amino-2-methyl-4-(methylamino)phenyl]prop-2-enal has a molecular weight of 190.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-amino-2-methyl-4-(methylamino)phenyl]prop-2-enal is sourced from PubChem (CID 142376340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).