2-[4-(methylamino)phenyl]acetaldehyde;N-(2-methylphenyl)formamide

C17H20N2O2 — CID 143818637

IUPAC2-[4-(methylamino)phenyl]acetaldehyde;N-(2-methylphenyl)formamide
SMILESCNc1ccc(CC=O)cc1.Cc1ccccc1NC=O
InChIInChI=1S/C9H11NO.C8H9NO/c1-10-9-4-2-8(3-5-9)6-7-11;1-7-4-2-3-5-8(7)9-6-10/h2-5,7,10H,6H2,1H3;2-6H,1H3,(H,9,10)
InChIKeyQRONPIZRQFPQBF-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.03
Rot. Bonds5

About 2-[4-(methylamino)phenyl]acetaldehyde;N-(2-methylphenyl)formamide

2-[4-(methylamino)phenyl]acetaldehyde;N-(2-methylphenyl)formamide (PubChem CID 143818637) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[4-(methylamino)phenyl]acetaldehyde;N-(2-methylphenyl)formamide.

Molecular Properties

Compound Name2-[4-(methylamino)phenyl]acetaldehyde;N-(2-methylphenyl)formamide
PubChem CID143818637
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[4-(methylamino)phenyl]acetaldehyde;N-(2-methylphenyl)formamide
SMILESCNc1ccc(CC=O)cc1.Cc1ccccc1NC=O
InChIInChI=1S/C9H11NO.C8H9NO/c1-10-9-4-2-8(3-5-9)6-7-11;1-7-4-2-3-5-8(7)9-6-10/h2-5,7,10H,6H2,1H3;2-6H,1H3,(H,9,10)
InChIKeyQRONPIZRQFPQBF-UHFFFAOYSA-N
XLogP3.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-methyl-2-(methylamino)phenyl]formamide
CID 142602610
ethane;N-[3-methyl-2-(methylamino)phenyl]formamide
CID 142602609
N-methylmethanamine;2-phenylacetaldehyde
CID 175168726
2-methyl-N-[(E)-3-phenylprop-1-enyl]aniline
CID 102211121
acetaldehyde;N,2-dimethylaniline;ethane
CID 143317223
[4-(2-oxoethyl)phenyl]carbamic acid
CID 87359539
N-(2,3-dimethylphenyl)formamide;methane
CID 143644303
N,2-dimethylaniline
CID 163768915
N-[2-[(2-formamidophenyl)methyl]phenyl]formamide
CID 54221440
ethane;N-ethenyl-2-methylaniline
CID 142183828
butane;N-ethenyl-2-methylaniline
CID 142042280
N-[4-(aminomethyl)-2-methylphenyl]formamide
CID 82502855

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)phenyl]acetaldehyde;N-(2-methylphenyl)formamide?
The IUPAC name of 2-[4-(methylamino)phenyl]acetaldehyde;N-(2-methylphenyl)formamide (CID 143818637) is 2-[4-(methylamino)phenyl]acetaldehyde;N-(2-methylphenyl)formamide.
What is the SMILES notation for 2-[4-(methylamino)phenyl]acetaldehyde;N-(2-methylphenyl)formamide?
The canonical SMILES for 2-[4-(methylamino)phenyl]acetaldehyde;N-(2-methylphenyl)formamide is CNc1ccc(CC=O)cc1.Cc1ccccc1NC=O.
What is the InChIKey of 2-[4-(methylamino)phenyl]acetaldehyde;N-(2-methylphenyl)formamide?
The InChIKey is QRONPIZRQFPQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C8H9NO/c1-10-9-4-2-8(3-5-9)6-7-11;1-7-4-2-3-5-8(7)9-6-10/h2-5,7,10H,6H2,1H3;2-6H,1H3,(H,9,10).
What are the key properties of 2-[4-(methylamino)phenyl]acetaldehyde;N-(2-methylphenyl)formamide?
2-[4-(methylamino)phenyl]acetaldehyde;N-(2-methylphenyl)formamide has a molecular weight of 284.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)phenyl]acetaldehyde;N-(2-methylphenyl)formamide is sourced from PubChem (CID 143818637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).