2-[4-[2-methoxyethyl(methyl)amino]phenyl]propanal

C13H19NO2 — CID 174422036

IUPAC2-[4-[2-methoxyethyl(methyl)amino]phenyl]propanal
SMILESCOCCN(C)c1ccc(C(C)C=O)cc1
InChIInChI=1S/C13H19NO2/c1-11(10-15)12-4-6-13(7-5-12)14(2)8-9-16-3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyTUZRUPGSKBPASD-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.07
Rot. Bonds6

About 2-[4-[2-methoxyethyl(methyl)amino]phenyl]propanal

2-[4-[2-methoxyethyl(methyl)amino]phenyl]propanal (PubChem CID 174422036) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[4-[2-methoxyethyl(methyl)amino]phenyl]propanal.

Molecular Properties

Compound Name2-[4-[2-methoxyethyl(methyl)amino]phenyl]propanal
PubChem CID174422036
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[4-[2-methoxyethyl(methyl)amino]phenyl]propanal
SMILESCOCCN(C)c1ccc(C(C)C=O)cc1
InChIInChI=1S/C13H19NO2/c1-11(10-15)12-4-6-13(7-5-12)14(2)8-9-16-3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyTUZRUPGSKBPASD-UHFFFAOYSA-N
XLogP2.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylaniline
CID 61427308
(2S)-2-(4-methoxyphenyl)propanal
CID 11137473
1-[4-[2-ethoxyethyl(methyl)amino]phenyl]ethanol
CID 81057167
N-(2-methoxyethyl)-N-methyl-4-[2-(methylamino)ethyl]aniline
CID 148951067
4-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline
CID 55189419
N-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62574597
(1R)-1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
CID 82951638
methyl 2-[4-(1-oxopropan-2-yl)phenyl]propanoate
CID 605628
2-bromo-N-(2-methoxyethyl)-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62910434
2,4-bis[4-[ethyl(2-methoxyethyl)amino]phenyl]pentan-3-one
CID 174404931
4-[2-methoxyethyl(methyl)amino]-2-methylbenzoic acid
CID 62135793
(1R)-1-[3-chloro-4-[2-methoxyethyl(methyl)amino]phenyl]ethanol
CID 63371408

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-methoxyethyl(methyl)amino]phenyl]propanal?
The IUPAC name of 2-[4-[2-methoxyethyl(methyl)amino]phenyl]propanal (CID 174422036) is 2-[4-[2-methoxyethyl(methyl)amino]phenyl]propanal.
What is the SMILES notation for 2-[4-[2-methoxyethyl(methyl)amino]phenyl]propanal?
The canonical SMILES for 2-[4-[2-methoxyethyl(methyl)amino]phenyl]propanal is COCCN(C)c1ccc(C(C)C=O)cc1.
What is the InChIKey of 2-[4-[2-methoxyethyl(methyl)amino]phenyl]propanal?
The InChIKey is TUZRUPGSKBPASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-11(10-15)12-4-6-13(7-5-12)14(2)8-9-16-3/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 2-[4-[2-methoxyethyl(methyl)amino]phenyl]propanal?
2-[4-[2-methoxyethyl(methyl)amino]phenyl]propanal has a molecular weight of 221.30 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-methoxyethyl(methyl)amino]phenyl]propanal is sourced from PubChem (CID 174422036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).