4-[2-hydroxyethyl(propyl)amino]-3-methylbenzaldehyde

C13H19NO2 — CID 62121260

IUPAC4-[2-hydroxyethyl(propyl)amino]-3-methylbenzaldehyde
SMILESCCCN(CCO)c1ccc(C=O)cc1C
InChIInChI=1S/C13H19NO2/c1-3-6-14(7-8-15)13-5-4-12(10-16)9-11(13)2/h4-5,9-10,15H,3,6-8H2,1-2H3
InChIKeyHVKBWCAHZNMUCS-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.02
Rot. Bonds6

About 4-[2-hydroxyethyl(propyl)amino]-3-methylbenzaldehyde

4-[2-hydroxyethyl(propyl)amino]-3-methylbenzaldehyde (PubChem CID 62121260) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(propyl)amino]-3-methylbenzaldehyde.

Molecular Properties

Compound Name4-[2-hydroxyethyl(propyl)amino]-3-methylbenzaldehyde
PubChem CID62121260
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-[2-hydroxyethyl(propyl)amino]-3-methylbenzaldehyde
SMILESCCCN(CCO)c1ccc(C=O)cc1C
InChIInChI=1S/C13H19NO2/c1-3-6-14(7-8-15)13-5-4-12(10-16)9-11(13)2/h4-5,9-10,15H,3,6-8H2,1-2H3
InChIKeyHVKBWCAHZNMUCS-UHFFFAOYSA-N
XLogP2.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(diethylamino)propyl-ethylamino]-3-methylbenzaldehyde
CID 102994596
4-[1-hydroxypropan-2-yl(methyl)amino]-3-methylbenzaldehyde
CID 104552443
4-[ethyl(2-methylpropyl)amino]-3-methylbenzaldehyde
CID 62122123
methyl 2-[ethyl(propyl)amino]-5-formylbenzoate
CID 145007986
2-(N-ethyl-4-formyl-2-methylanilino)-N-propan-2-ylacetamide
CID 62120917
4-[2-chloroethyl(methyl)amino]-3-methylbenzaldehyde
CID 71336306
4-[ethyl(pyridin-4-ylmethyl)amino]-3-methylbenzaldehyde
CID 55040153
2-(4-formyl-N,2-dimethylanilino)-N,N-dimethylacetamide
CID 55039909
3-[ethyl(2-hydroxyethyl)amino]benzaldehyde
CID 84758573
3-bromo-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzaldehyde
CID 114062253
4-(N-ethyl-4-methylanilino)-3-methylbenzaldehyde
CID 63536813
4-[ethyl(2-hydroxyethyl)amino]-3-methylbenzoic acid
CID 63212681

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(propyl)amino]-3-methylbenzaldehyde?
The IUPAC name of 4-[2-hydroxyethyl(propyl)amino]-3-methylbenzaldehyde (CID 62121260) is 4-[2-hydroxyethyl(propyl)amino]-3-methylbenzaldehyde.
What is the SMILES notation for 4-[2-hydroxyethyl(propyl)amino]-3-methylbenzaldehyde?
The canonical SMILES for 4-[2-hydroxyethyl(propyl)amino]-3-methylbenzaldehyde is CCCN(CCO)c1ccc(C=O)cc1C.
What is the InChIKey of 4-[2-hydroxyethyl(propyl)amino]-3-methylbenzaldehyde?
The InChIKey is HVKBWCAHZNMUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-6-14(7-8-15)13-5-4-12(10-16)9-11(13)2/h4-5,9-10,15H,3,6-8H2,1-2H3.
What are the key properties of 4-[2-hydroxyethyl(propyl)amino]-3-methylbenzaldehyde?
4-[2-hydroxyethyl(propyl)amino]-3-methylbenzaldehyde has a molecular weight of 221.30 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(propyl)amino]-3-methylbenzaldehyde is sourced from PubChem (CID 62121260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).