4-[ethyl(propan-2-yl)amino]-2-methylbenzaldehyde

C13H19NO — CID 62134905

IUPAC4-[ethyl(propan-2-yl)amino]-2-methylbenzaldehyde
SMILESCCN(c1ccc(C=O)c(C)c1)C(C)C
InChIInChI=1S/C13H19NO/c1-5-14(10(2)3)13-7-6-12(9-15)11(4)8-13/h6-10H,5H2,1-4H3
InChIKeyHTKRHURAUFHNNA-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.04
Rot. Bonds4

About 4-[ethyl(propan-2-yl)amino]-2-methylbenzaldehyde

4-[ethyl(propan-2-yl)amino]-2-methylbenzaldehyde (PubChem CID 62134905) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-[ethyl(propan-2-yl)amino]-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-[ethyl(propan-2-yl)amino]-2-methylbenzaldehyde
PubChem CID62134905
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-[ethyl(propan-2-yl)amino]-2-methylbenzaldehyde
SMILESCCN(c1ccc(C=O)c(C)c1)C(C)C
InChIInChI=1S/C13H19NO/c1-5-14(10(2)3)13-7-6-12(9-15)11(4)8-13/h6-10H,5H2,1-4H3
InChIKeyHTKRHURAUFHNNA-UHFFFAOYSA-N
XLogP3.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propan-2-yl)amino]-2-methylbenzaldehyde?
The IUPAC name of 4-[ethyl(propan-2-yl)amino]-2-methylbenzaldehyde (CID 62134905) is 4-[ethyl(propan-2-yl)amino]-2-methylbenzaldehyde.
What is the SMILES notation for 4-[ethyl(propan-2-yl)amino]-2-methylbenzaldehyde?
The canonical SMILES for 4-[ethyl(propan-2-yl)amino]-2-methylbenzaldehyde is CCN(c1ccc(C=O)c(C)c1)C(C)C.
What is the InChIKey of 4-[ethyl(propan-2-yl)amino]-2-methylbenzaldehyde?
The InChIKey is HTKRHURAUFHNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-14(10(2)3)13-7-6-12(9-15)11(4)8-13/h6-10H,5H2,1-4H3.
What are the key properties of 4-[ethyl(propan-2-yl)amino]-2-methylbenzaldehyde?
4-[ethyl(propan-2-yl)amino]-2-methylbenzaldehyde has a molecular weight of 205.30 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propan-2-yl)amino]-2-methylbenzaldehyde is sourced from PubChem (CID 62134905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).