3-[benzyl-(methylideneamino)amino]-2-methylbenzaldehyde

C16H16N2O — CID 129300563

IUPAC3-[benzyl-(methylideneamino)amino]-2-methylbenzaldehyde
SMILESC=NN(Cc1ccccc1)c1cccc(C=O)c1C
InChIInChI=1S/C16H16N2O/c1-13-15(12-19)9-6-10-16(13)18(17-2)11-14-7-4-3-5-8-14/h3-10,12H,2,11H2,1H3
InChIKeyHDCHUBCIQGHDFP-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.43
Rot. Bonds5

About 3-[benzyl-(methylideneamino)amino]-2-methylbenzaldehyde

3-[benzyl-(methylideneamino)amino]-2-methylbenzaldehyde (PubChem CID 129300563) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[benzyl-(methylideneamino)amino]-2-methylbenzaldehyde.

Molecular Properties

Compound Name3-[benzyl-(methylideneamino)amino]-2-methylbenzaldehyde
PubChem CID129300563
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3-[benzyl-(methylideneamino)amino]-2-methylbenzaldehyde
SMILESC=NN(Cc1ccccc1)c1cccc(C=O)c1C
InChIInChI=1S/C16H16N2O/c1-13-15(12-19)9-6-10-16(13)18(17-2)11-14-7-4-3-5-8-14/h3-10,12H,2,11H2,1H3
InChIKeyHDCHUBCIQGHDFP-UHFFFAOYSA-N
XLogP3.43
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(diethylamino)-2-methylbenzaldehyde
CID 88960180
2-[benzyl(butyl)amino]benzaldehyde
CID 151381446
2-[(4-chlorophenyl)methyl-methylamino]benzaldehyde
CID 61415174
1-N,3-N-dibenzyl-1-N,3-N-dichloro-2-methylbenzene-1,3-diamine
CID 174756588
3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde
CID 86188059
N-benzyl-N-methyl-1-phenylmethanamine;2-(3-methylphenyl)benzaldehyde
CID 142814461
2-methyl-3-(methyliminomethyl)benzaldehyde
CID 169204727
benzaldehyde;2,3-dimethylbenzaldehyde
CID 174844516
3-hydroxy-2-methylbenzaldehyde;phenol
CID 87138330
2,3-dimethylbenzaldehyde;hydrazine
CID 158628869
2-methyl-3-(2-phenylpropan-2-yl)benzaldehyde
CID 141223238
N-benzyl-N-(2,3-dimethylphenyl)acetamide
CID 71247731

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-(methylideneamino)amino]-2-methylbenzaldehyde?
The IUPAC name of 3-[benzyl-(methylideneamino)amino]-2-methylbenzaldehyde (CID 129300563) is 3-[benzyl-(methylideneamino)amino]-2-methylbenzaldehyde.
What is the SMILES notation for 3-[benzyl-(methylideneamino)amino]-2-methylbenzaldehyde?
The canonical SMILES for 3-[benzyl-(methylideneamino)amino]-2-methylbenzaldehyde is C=NN(Cc1ccccc1)c1cccc(C=O)c1C.
What is the InChIKey of 3-[benzyl-(methylideneamino)amino]-2-methylbenzaldehyde?
The InChIKey is HDCHUBCIQGHDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-13-15(12-19)9-6-10-16(13)18(17-2)11-14-7-4-3-5-8-14/h3-10,12H,2,11H2,1H3.
What are the key properties of 3-[benzyl-(methylideneamino)amino]-2-methylbenzaldehyde?
3-[benzyl-(methylideneamino)amino]-2-methylbenzaldehyde has a molecular weight of 252.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-(methylideneamino)amino]-2-methylbenzaldehyde is sourced from PubChem (CID 129300563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).