2-(2-aminoethyl)benzaldehyde

C9H11NO — CID 12707182

IUPAC2-(2-aminoethyl)benzaldehyde
SMILESNCCc1ccccc1C=O
InChIInChI=1S/C9H11NO/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4,7H,5-6,10H2
InChIKeyVZOJCPQBOMEFRY-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.00
Rot. Bonds3

About 2-(2-aminoethyl)benzaldehyde

2-(2-aminoethyl)benzaldehyde (PubChem CID 12707182) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-(2-aminoethyl)benzaldehyde.

Molecular Properties

Compound Name2-(2-aminoethyl)benzaldehyde
PubChem CID12707182
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-(2-aminoethyl)benzaldehyde
SMILESNCCc1ccccc1C=O
InChIInChI=1S/C9H11NO/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4,7H,5-6,10H2
InChIKeyVZOJCPQBOMEFRY-UHFFFAOYSA-N
XLogP1.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.00
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

Cathinone
CID 62258
Ethanone, 2-amino-1-phenyl-, hydrochloride (1:1)
CID 2723597
(-)-alpha-Amino-propiophenone
CID 107786
Phenacylamine
CID 11952
2-(Prop-2-en-1-yl)benzaldehyde
CID 329750
Cathinone, (+)-
CID 149798
Phenacylazanium;chloride
CID 21641
2-Amino-1-(2-methylphenyl)ethan-1-one hydrochloride
CID 44630937
Benzaldehyde, 2-ethenyl-
CID 39391
Benzaldehyde, 2-(3-butenyl)-
CID 10261375
2-Formylbenzamide
CID 15501010
4-(Aminomethyl)-benzaldehyde
CID 22929228

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)benzaldehyde?
The IUPAC name of 2-(2-aminoethyl)benzaldehyde (CID 12707182) is 2-(2-aminoethyl)benzaldehyde.
What is the SMILES notation for 2-(2-aminoethyl)benzaldehyde?
The canonical SMILES for 2-(2-aminoethyl)benzaldehyde is NCCc1ccccc1C=O.
What is the InChIKey of 2-(2-aminoethyl)benzaldehyde?
The InChIKey is VZOJCPQBOMEFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4,7H,5-6,10H2.
What are the key properties of 2-(2-aminoethyl)benzaldehyde?
2-(2-aminoethyl)benzaldehyde has a molecular weight of 149.19 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)benzaldehyde is sourced from PubChem (CID 12707182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).