3-(diethylamino)-2-methylbenzaldehyde

C12H17NO — CID 88960180

IUPAC3-(diethylamino)-2-methylbenzaldehyde
SMILESCCN(CC)c1cccc(C=O)c1C
InChIInChI=1S/C12H17NO/c1-4-13(5-2)12-8-6-7-11(9-14)10(12)3/h6-9H,4-5H2,1-3H3
InChIKeyWHYFHMGHETYSBF-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.65
Rot. Bonds4

About 3-(diethylamino)-2-methylbenzaldehyde

3-(diethylamino)-2-methylbenzaldehyde (PubChem CID 88960180) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(diethylamino)-2-methylbenzaldehyde.

Molecular Properties

Compound Name3-(diethylamino)-2-methylbenzaldehyde
PubChem CID88960180
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(diethylamino)-2-methylbenzaldehyde
SMILESCCN(CC)c1cccc(C=O)c1C
InChIInChI=1S/C12H17NO/c1-4-13(5-2)12-8-6-7-11(9-14)10(12)3/h6-9H,4-5H2,1-3H3
InChIKeyWHYFHMGHETYSBF-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.65
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

3-(diethylamino)-2-methylbenzenesulfinic acid
CID 57312712
3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde
CID 86188059
3-(diethylamino)-2-methylbenzoic acid;hydrochloride
CID 139904487
3-[benzyl-(methylideneamino)amino]-2-methylbenzaldehyde
CID 129300563
N,N,2,3-tetraethylaniline
CID 18696135
(E)-3-[2-(diethylamino)phenyl]prop-2-enal
CID 87134709
2-[ethyl(propyl)amino]-6-methylbenzaldehyde
CID 142972786
2,3-dimethylbenzaldehyde;hydrazine
CID 158628869
1-N,1-N,8-N,8-N-tetraethylnaphthalene-1,8-diamine
CID 12673049
2-methyl-3-(methyliminomethyl)benzaldehyde
CID 169204727
benzaldehyde;2,3-dimethylbenzaldehyde
CID 174844516
2-(diethylamino)-5-methylsulfonylbenzaldehyde
CID 143239064

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-2-methylbenzaldehyde?
The IUPAC name of 3-(diethylamino)-2-methylbenzaldehyde (CID 88960180) is 3-(diethylamino)-2-methylbenzaldehyde.
What is the SMILES notation for 3-(diethylamino)-2-methylbenzaldehyde?
The canonical SMILES for 3-(diethylamino)-2-methylbenzaldehyde is CCN(CC)c1cccc(C=O)c1C.
What is the InChIKey of 3-(diethylamino)-2-methylbenzaldehyde?
The InChIKey is WHYFHMGHETYSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-13(5-2)12-8-6-7-11(9-14)10(12)3/h6-9H,4-5H2,1-3H3.
What are the key properties of 3-(diethylamino)-2-methylbenzaldehyde?
3-(diethylamino)-2-methylbenzaldehyde has a molecular weight of 191.27 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-2-methylbenzaldehyde is sourced from PubChem (CID 88960180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).