2-(2-methoxy-N-methyl-4-propan-2-ylanilino)acetaldehyde

C13H19NO2 — CID 115222785

IUPAC2-(2-methoxy-N-methyl-4-propan-2-ylanilino)acetaldehyde
SMILESCOc1cc(C(C)C)ccc1N(C)CC=O
InChIInChI=1S/C13H19NO2/c1-10(2)11-5-6-12(13(9-11)16-4)14(3)7-8-15/h5-6,8-10H,7H2,1-4H3
InChIKeyKFMMKQBLDYHBOY-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.45
Rot. Bonds5

About 2-(2-methoxy-N-methyl-4-propan-2-ylanilino)acetaldehyde

2-(2-methoxy-N-methyl-4-propan-2-ylanilino)acetaldehyde (PubChem CID 115222785) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(2-methoxy-N-methyl-4-propan-2-ylanilino)acetaldehyde.

Molecular Properties

Compound Name2-(2-methoxy-N-methyl-4-propan-2-ylanilino)acetaldehyde
PubChem CID115222785
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(2-methoxy-N-methyl-4-propan-2-ylanilino)acetaldehyde
SMILESCOc1cc(C(C)C)ccc1N(C)CC=O
InChIInChI=1S/C13H19NO2/c1-10(2)11-5-6-12(13(9-11)16-4)14(3)7-8-15/h5-6,8-10H,7H2,1-4H3
InChIKeyKFMMKQBLDYHBOY-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methoxy-4-propan-2-ylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 98784055
N'-(2-methoxy-4-propan-2-ylphenyl)-N'-methylbutane-1,4-diamine
CID 115201118
2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208694
2-amino-3-hydroxy-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide
CID 115179737
2-methoxy-N-(3-methylbutyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline
CID 70881827
2-(2-methoxy-N-methyl-4-propan-2-ylanilino)-2-methylpropanenitrile
CID 115129156
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
bis(2-methoxy-4-propan-2-ylphenyl)phosphane
CID 171780256
2-amino-3-(2-methoxy-N-methyl-5-propan-2-ylanilino)propan-1-ol
CID 115120393
5-bromo-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpyridin-2-amine
CID 115146592
1-ethenyl-2-methoxy-4-propan-2-ylbenzene
CID 67419573
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-methyl-4-propan-2-ylanilino)acetaldehyde?
The IUPAC name of 2-(2-methoxy-N-methyl-4-propan-2-ylanilino)acetaldehyde (CID 115222785) is 2-(2-methoxy-N-methyl-4-propan-2-ylanilino)acetaldehyde.
What is the SMILES notation for 2-(2-methoxy-N-methyl-4-propan-2-ylanilino)acetaldehyde?
The canonical SMILES for 2-(2-methoxy-N-methyl-4-propan-2-ylanilino)acetaldehyde is COc1cc(C(C)C)ccc1N(C)CC=O.
What is the InChIKey of 2-(2-methoxy-N-methyl-4-propan-2-ylanilino)acetaldehyde?
The InChIKey is KFMMKQBLDYHBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)11-5-6-12(13(9-11)16-4)14(3)7-8-15/h5-6,8-10H,7H2,1-4H3.
What are the key properties of 2-(2-methoxy-N-methyl-4-propan-2-ylanilino)acetaldehyde?
2-(2-methoxy-N-methyl-4-propan-2-ylanilino)acetaldehyde has a molecular weight of 221.30 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-methyl-4-propan-2-ylanilino)acetaldehyde is sourced from PubChem (CID 115222785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).