2-(benzylamino)acetaldehyde

C9H11NO — CID 2769654

IUPAC2-(benzylamino)acetaldehyde
SMILESO=CCNCc1ccccc1
InChIInChI=1S/C9H11NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,7,10H,6,8H2
InChIKeyONGYYRQSCJYQHL-UHFFFAOYSA-N
MW149.19 g/mol
LogP0.98
Rot. Bonds4

About 2-(benzylamino)acetaldehyde

2-(benzylamino)acetaldehyde (PubChem CID 2769654) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-(benzylamino)acetaldehyde.

Molecular Properties

Compound Name2-(benzylamino)acetaldehyde
PubChem CID2769654
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-(benzylamino)acetaldehyde
SMILESO=CCNCc1ccccc1
InChIInChI=1S/C9H11NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,7,10H,6,8H2
InChIKeyONGYYRQSCJYQHL-UHFFFAOYSA-N
XLogP0.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N'-benzylprop-1-ene-1,3-diamine
CID 70630128
2-[(3-fluorophenyl)methylamino]acetaldehyde
CID 115222993
N-benzyl-3-deuterioprop-2-en-1-amine
CID 16686204
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
N-benzylformamide
CID 139060556
N-[(benzylamino)methyl]formamide
CID 12511023
N-benzyl-3-methylbut-2-en-1-amine;hydrobromide
CID 173401181
ethane;methanamine;2-[(3-methylphenyl)methylamino]acetaldehyde
CID 143498965
N-benzyl-2-iminoethanamine;molecular hydrogen
CID 156849482
N-(2-oxoethyl)-1-phenylmethanesulfonamide
CID 89052958
(benzylamino)methanethiol
CID 88942779

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)acetaldehyde?
The IUPAC name of 2-(benzylamino)acetaldehyde (CID 2769654) is 2-(benzylamino)acetaldehyde.
What is the SMILES notation for 2-(benzylamino)acetaldehyde?
The canonical SMILES for 2-(benzylamino)acetaldehyde is O=CCNCc1ccccc1.
What is the InChIKey of 2-(benzylamino)acetaldehyde?
The InChIKey is ONGYYRQSCJYQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,7,10H,6,8H2.
What are the key properties of 2-(benzylamino)acetaldehyde?
2-(benzylamino)acetaldehyde has a molecular weight of 149.19 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)acetaldehyde is sourced from PubChem (CID 2769654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).