2-[ethyl(propyl)amino]-6-methylbenzaldehyde

C13H19NO — CID 142972786

IUPAC2-[ethyl(propyl)amino]-6-methylbenzaldehyde
SMILESCCCN(CC)c1cccc(C)c1C=O
InChIInChI=1S/C13H19NO/c1-4-9-14(5-2)13-8-6-7-11(3)12(13)10-15/h6-8,10H,4-5,9H2,1-3H3
InChIKeyHUDLJYASQWSCTN-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.04
Rot. Bonds5

About 2-[ethyl(propyl)amino]-6-methylbenzaldehyde

2-[ethyl(propyl)amino]-6-methylbenzaldehyde (PubChem CID 142972786) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[ethyl(propyl)amino]-6-methylbenzaldehyde.

Molecular Properties

Compound Name2-[ethyl(propyl)amino]-6-methylbenzaldehyde
PubChem CID142972786
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[ethyl(propyl)amino]-6-methylbenzaldehyde
SMILESCCCN(CC)c1cccc(C)c1C=O
InChIInChI=1S/C13H19NO/c1-4-9-14(5-2)13-8-6-7-11(3)12(13)10-15/h6-8,10H,4-5,9H2,1-3H3
InChIKeyHUDLJYASQWSCTN-UHFFFAOYSA-N
XLogP3.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

2-(N-ethyl-2-methylanilino)ethanol sulfate
CID 19002397
2,6-dimethylbenzaldehyde
CID 159545887
N'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine
CID 61386867
3-(diethylamino)-2-methylbenzaldehyde
CID 88960180
2-(2-methyl-N-propylanilino)acetic acid
CID 83559835
4-(N-ethyl-2-methylanilino)butan-2-one
CID 28948801
4-(N-ethyl-2-methylanilino)-2-(propylamino)butan-1-ol
CID 64790184
4-[2-hydroxyethyl(propyl)amino]-3-methylbenzaldehyde
CID 62121260
1-N-ethyl-2-methyl-1-N-propylbenzene-1,4-diamine;methanesulfonamide
CID 70576933
N'-ethyl-N'-(2-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 60843081
2-(diethylamino)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 75487315
2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde
CID 63536486

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propyl)amino]-6-methylbenzaldehyde?
The IUPAC name of 2-[ethyl(propyl)amino]-6-methylbenzaldehyde (CID 142972786) is 2-[ethyl(propyl)amino]-6-methylbenzaldehyde.
What is the SMILES notation for 2-[ethyl(propyl)amino]-6-methylbenzaldehyde?
The canonical SMILES for 2-[ethyl(propyl)amino]-6-methylbenzaldehyde is CCCN(CC)c1cccc(C)c1C=O.
What is the InChIKey of 2-[ethyl(propyl)amino]-6-methylbenzaldehyde?
The InChIKey is HUDLJYASQWSCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-9-14(5-2)13-8-6-7-11(3)12(13)10-15/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of 2-[ethyl(propyl)amino]-6-methylbenzaldehyde?
2-[ethyl(propyl)amino]-6-methylbenzaldehyde has a molecular weight of 205.30 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propyl)amino]-6-methylbenzaldehyde is sourced from PubChem (CID 142972786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).