4-(benzylamino)-2-methoxybenzaldehyde

C15H15NO2 — CID 54461880

IUPAC4-(benzylamino)-2-methoxybenzaldehyde
SMILESCOc1cc(NCc2ccccc2)ccc1C=O
InChIInChI=1S/C15H15NO2/c1-18-15-9-14(8-7-13(15)11-17)16-10-12-5-3-2-4-6-12/h2-9,11,16H,10H2,1H3
InChIKeyXCEDNQJVIKLSEB-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.12
Rot. Bonds5

About 4-(benzylamino)-2-methoxybenzaldehyde

4-(benzylamino)-2-methoxybenzaldehyde (PubChem CID 54461880) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(benzylamino)-2-methoxybenzaldehyde.

Molecular Properties

Compound Name4-(benzylamino)-2-methoxybenzaldehyde
PubChem CID54461880
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name4-(benzylamino)-2-methoxybenzaldehyde
SMILESCOc1cc(NCc2ccccc2)ccc1C=O
InChIInChI=1S/C15H15NO2/c1-18-15-9-14(8-7-13(15)11-17)16-10-12-5-3-2-4-6-12/h2-9,11,16H,10H2,1H3
InChIKeyXCEDNQJVIKLSEB-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(benzylamino)-2-methoxybenzoate
CID 23068026
4-(benzylamino)-2,5-difluoro-3-methoxybenzaldehyde
CID 176960016
N-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide
CID 112981913
ethyl N-(4-formyl-3-methoxyphenyl)carbamate
CID 19765047
4-(chloromethyl)-2-methoxybenzaldehyde
CID 141225522
1-N-benzyl-4-N-(6,7-dimethoxyquinazolin-2-yl)benzene-1,4-diamine
CID 67698095
N-[4-(benzylamino)phenyl]-2-methoxybenzamide
CID 112981909
[4-(benzylamino)-2-methoxyphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 68579259
5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109188107
N-benzyl-2,6-dimethoxy-4-methylaniline
CID 140970852
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
3,4-dimethoxy-N-[(3-nitrophenyl)methyl]aniline
CID 28575174

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-2-methoxybenzaldehyde?
The IUPAC name of 4-(benzylamino)-2-methoxybenzaldehyde (CID 54461880) is 4-(benzylamino)-2-methoxybenzaldehyde.
What is the SMILES notation for 4-(benzylamino)-2-methoxybenzaldehyde?
The canonical SMILES for 4-(benzylamino)-2-methoxybenzaldehyde is COc1cc(NCc2ccccc2)ccc1C=O.
What is the InChIKey of 4-(benzylamino)-2-methoxybenzaldehyde?
The InChIKey is XCEDNQJVIKLSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-18-15-9-14(8-7-13(15)11-17)16-10-12-5-3-2-4-6-12/h2-9,11,16H,10H2,1H3.
What are the key properties of 4-(benzylamino)-2-methoxybenzaldehyde?
4-(benzylamino)-2-methoxybenzaldehyde has a molecular weight of 241.29 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-2-methoxybenzaldehyde is sourced from PubChem (CID 54461880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).