4-(2-amino-4-methoxyphenyl)benzaldehyde

C14H13NO2 — CID 82039256

IUPAC4-(2-amino-4-methoxyphenyl)benzaldehyde
SMILESCOc1ccc(-c2ccc(C=O)cc2)c(N)c1
InChIInChI=1S/C14H13NO2/c1-17-12-6-7-13(14(15)8-12)11-4-2-10(9-16)3-5-11/h2-9H,15H2,1H3
InChIKeyQEAPYCWKPBEWEF-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.76
Rot. Bonds3

About 4-(2-amino-4-methoxyphenyl)benzaldehyde

4-(2-amino-4-methoxyphenyl)benzaldehyde (PubChem CID 82039256) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-(2-amino-4-methoxyphenyl)benzaldehyde.

Molecular Properties

Compound Name4-(2-amino-4-methoxyphenyl)benzaldehyde
PubChem CID82039256
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name4-(2-amino-4-methoxyphenyl)benzaldehyde
SMILESCOc1ccc(-c2ccc(C=O)cc2)c(N)c1
InChIInChI=1S/C14H13NO2/c1-17-12-6-7-13(14(15)8-12)11-4-2-10(9-16)3-5-11/h2-9H,15H2,1H3
InChIKeyQEAPYCWKPBEWEF-UHFFFAOYSA-N
XLogP2.76
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
4-fluoro-3-(4-methoxyphenyl)benzaldehyde
CID 39231865
4-chloro-3-(4-methoxyphenyl)benzaldehyde
CID 22391389
4-[2,3-diamino-4-(4-formylphenyl)phenyl]benzaldehyde
CID 155775839
4-methoxybenzaldehyde;toluene
CID 174462701
1-[4-(2-amino-4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 82039271
4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 102018921
7-methoxy-9,9-dimethylfluorene-2-carbaldehyde
CID 59236603
4-(2,4-dimethoxyphenoxy)benzaldehyde
CID 118874779
benzaldehyde;4-methoxyaniline
CID 159915454
4-(2,3-difluoro-4-methoxyphenyl)benzaldehyde
CID 144969645
5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 103694158

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-methoxyphenyl)benzaldehyde?
The IUPAC name of 4-(2-amino-4-methoxyphenyl)benzaldehyde (CID 82039256) is 4-(2-amino-4-methoxyphenyl)benzaldehyde.
What is the SMILES notation for 4-(2-amino-4-methoxyphenyl)benzaldehyde?
The canonical SMILES for 4-(2-amino-4-methoxyphenyl)benzaldehyde is COc1ccc(-c2ccc(C=O)cc2)c(N)c1.
What is the InChIKey of 4-(2-amino-4-methoxyphenyl)benzaldehyde?
The InChIKey is QEAPYCWKPBEWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-17-12-6-7-13(14(15)8-12)11-4-2-10(9-16)3-5-11/h2-9H,15H2,1H3.
What are the key properties of 4-(2-amino-4-methoxyphenyl)benzaldehyde?
4-(2-amino-4-methoxyphenyl)benzaldehyde has a molecular weight of 227.26 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-methoxyphenyl)benzaldehyde is sourced from PubChem (CID 82039256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).