ethane;4-(methylamino)benzaldehyde

C10H15NO — CID 90757327

IUPACethane;4-(methylamino)benzaldehyde
SMILESCC.CNc1ccc(C=O)cc1
InChIInChI=1S/C8H9NO.C2H6/c1-9-8-4-2-7(6-10)3-5-8;1-2/h2-6,9H,1H3;1-2H3
InChIKeyTXPOTCIXNRIENP-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.57
Rot. Bonds2

About ethane;4-(methylamino)benzaldehyde

ethane;4-(methylamino)benzaldehyde (PubChem CID 90757327) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is ethane;4-(methylamino)benzaldehyde.

Molecular Properties

Compound Nameethane;4-(methylamino)benzaldehyde
PubChem CID90757327
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Nameethane;4-(methylamino)benzaldehyde
SMILESCC.CNc1ccc(C=O)cc1
InChIInChI=1S/C8H9NO.C2H6/c1-9-8-4-2-7(6-10)3-5-8;1-2/h2-6,9H,1H3;1-2H3
InChIKeyTXPOTCIXNRIENP-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Procainamide
CID 4913
N-Acetylprocainamide
CID 4342
4-(Dimethylamino)Benzaldehyde
CID 7479
4-(Diethylamino)benzaldehyde
CID 67114
Acecainide Hydrochloride
CID 71417
4-(Bis(2-chloroethyl)amino)benzaldehyde
CID 71018
4-Aminobenzaldehyde
CID 11158
4-(Dimethylamino)cinnamaldehyde
CID 5284506
4'-Methylbenzanilide
CID 68497
4-(Dimethylamino)benzophenone
CID 10737
N-[4-(1-oxopropyl)phenyl]acetamide
CID 85655
p-(Dimethylamino)benzohydrazide
CID 88019

Frequently Asked Questions

What is the IUPAC name of ethane;4-(methylamino)benzaldehyde?
The IUPAC name of ethane;4-(methylamino)benzaldehyde (CID 90757327) is ethane;4-(methylamino)benzaldehyde.
What is the SMILES notation for ethane;4-(methylamino)benzaldehyde?
The canonical SMILES for ethane;4-(methylamino)benzaldehyde is CC.CNc1ccc(C=O)cc1.
What is the InChIKey of ethane;4-(methylamino)benzaldehyde?
The InChIKey is TXPOTCIXNRIENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C2H6/c1-9-8-4-2-7(6-10)3-5-8;1-2/h2-6,9H,1H3;1-2H3.
What are the key properties of ethane;4-(methylamino)benzaldehyde?
ethane;4-(methylamino)benzaldehyde has a molecular weight of 165.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(methylamino)benzaldehyde is sourced from PubChem (CID 90757327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).