acetaldehyde;N-methyl-3-(3-methylphenyl)aniline

C16H19NO — CID 142087034

IUPACacetaldehyde;N-methyl-3-(3-methylphenyl)aniline
SMILESCC=O.CNc1cccc(-c2cccc(C)c2)c1
InChIInChI=1S/C14H15N.C2H4O/c1-11-5-3-6-12(9-11)13-7-4-8-14(10-13)15-2;1-2-3/h3-10,15H,1-2H3;2H,1H3
InChIKeySOHCTUVRPKHYLI-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.91
Rot. Bonds2

About acetaldehyde;N-methyl-3-(3-methylphenyl)aniline

acetaldehyde;N-methyl-3-(3-methylphenyl)aniline (PubChem CID 142087034) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is acetaldehyde;N-methyl-3-(3-methylphenyl)aniline.

Molecular Properties

Compound Nameacetaldehyde;N-methyl-3-(3-methylphenyl)aniline
PubChem CID142087034
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Nameacetaldehyde;N-methyl-3-(3-methylphenyl)aniline
SMILESCC=O.CNc1cccc(-c2cccc(C)c2)c1
InChIInChI=1S/C14H15N.C2H4O/c1-11-5-3-6-12(9-11)13-7-4-8-14(10-13)15-2;1-2-3/h3-10,15H,1-2H3;2H,1H3
InChIKeySOHCTUVRPKHYLI-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.91
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

N,3-dimethylaniline;methyl formate
CID 143511475
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
(E)-2-amino-3-(methylamino)but-2-enal;N,3-dimethylaniline;ethane
CID 144906249
N-methylazulen-2-amine
CID 175045574
methane;4-(3-methylphenyl)benzaldehyde
CID 143253676
N-methyl-3-(3-methylphenyl)sulfanylaniline
CID 117033152
1-methyl-3-(3-phenylphenyl)benzene;prop-1-ene
CID 142561273
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
ethane;1-methyl-3-phenylbenzene
CID 142040878

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N-methyl-3-(3-methylphenyl)aniline?
The IUPAC name of acetaldehyde;N-methyl-3-(3-methylphenyl)aniline (CID 142087034) is acetaldehyde;N-methyl-3-(3-methylphenyl)aniline.
What is the SMILES notation for acetaldehyde;N-methyl-3-(3-methylphenyl)aniline?
The canonical SMILES for acetaldehyde;N-methyl-3-(3-methylphenyl)aniline is CC=O.CNc1cccc(-c2cccc(C)c2)c1.
What is the InChIKey of acetaldehyde;N-methyl-3-(3-methylphenyl)aniline?
The InChIKey is SOHCTUVRPKHYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C2H4O/c1-11-5-3-6-12(9-11)13-7-4-8-14(10-13)15-2;1-2-3/h3-10,15H,1-2H3;2H,1H3.
What are the key properties of acetaldehyde;N-methyl-3-(3-methylphenyl)aniline?
acetaldehyde;N-methyl-3-(3-methylphenyl)aniline has a molecular weight of 241.33 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;N-methyl-3-(3-methylphenyl)aniline is sourced from PubChem (CID 142087034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).