4-methyl-3-[3-(methylamino)prop-1-enyl]benzaldehyde

C12H15NO — CID 169473520

IUPAC4-methyl-3-[3-(methylamino)prop-1-enyl]benzaldehyde
SMILESCNCC=Cc1cc(C=O)ccc1C
InChIInChI=1S/C12H15NO/c1-10-5-6-11(9-14)8-12(10)4-3-7-13-2/h3-6,8-9,13H,7H2,1-2H3
InChIKeyPUCSWNNAAOGTPD-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.04
Rot. Bonds4

About 4-methyl-3-[3-(methylamino)prop-1-enyl]benzaldehyde

4-methyl-3-[3-(methylamino)prop-1-enyl]benzaldehyde (PubChem CID 169473520) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-methyl-3-[3-(methylamino)prop-1-enyl]benzaldehyde.

Molecular Properties

Compound Name4-methyl-3-[3-(methylamino)prop-1-enyl]benzaldehyde
PubChem CID169473520
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4-methyl-3-[3-(methylamino)prop-1-enyl]benzaldehyde
SMILESCNCC=Cc1cc(C=O)ccc1C
InChIInChI=1S/C12H15NO/c1-10-5-6-11(9-14)8-12(10)4-3-7-13-2/h3-6,8-9,13H,7H2,1-2H3
InChIKeyPUCSWNNAAOGTPD-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(5-formyl-2-methylphenyl)but-3-enoate
CID 170500810
4-(5-formyl-2-methylphenyl)but-3-enenitrile
CID 170799601
3-fluoro-5-[3-(methylamino)prop-1-enyl]benzaldehyde
CID 169473500
N-[3-(2,5-dimethylphenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347970
3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine
CID 169473418
3-[2-(3-ethyl-4-methylphenyl)ethenyl]benzaldehyde
CID 123355717
2,4-dimethyl-6-[3-(methylamino)prop-1-enyl]aniline
CID 169473623
1-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]benzene
CID 143856242
4-amino-3-methylbenzaldehyde;3,4-dimethylbenzaldehyde
CID 161093718
2-hydroxy-3-methoxy-5-[3-(methylamino)prop-1-enyl]benzaldehyde
CID 169474143
4-methyl-2-[4-(methylamino)but-1-enyl]benzaldehyde
CID 170495666
5-fluoro-2-methyl-4-[3-(methylamino)prop-1-enyl]aniline
CID 169473596

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[3-(methylamino)prop-1-enyl]benzaldehyde?
The IUPAC name of 4-methyl-3-[3-(methylamino)prop-1-enyl]benzaldehyde (CID 169473520) is 4-methyl-3-[3-(methylamino)prop-1-enyl]benzaldehyde.
What is the SMILES notation for 4-methyl-3-[3-(methylamino)prop-1-enyl]benzaldehyde?
The canonical SMILES for 4-methyl-3-[3-(methylamino)prop-1-enyl]benzaldehyde is CNCC=Cc1cc(C=O)ccc1C.
What is the InChIKey of 4-methyl-3-[3-(methylamino)prop-1-enyl]benzaldehyde?
The InChIKey is PUCSWNNAAOGTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-10-5-6-11(9-14)8-12(10)4-3-7-13-2/h3-6,8-9,13H,7H2,1-2H3.
What are the key properties of 4-methyl-3-[3-(methylamino)prop-1-enyl]benzaldehyde?
4-methyl-3-[3-(methylamino)prop-1-enyl]benzaldehyde has a molecular weight of 189.26 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[3-(methylamino)prop-1-enyl]benzaldehyde is sourced from PubChem (CID 169473520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).