4-aminobenzaldehyde

C14H14N2O2 — CID 174906134

IUPAC4-aminobenzaldehyde
SMILESNc1ccc(C=O)cc1.Nc1ccc(C=O)cc1
InChIInChI=1S/2C7H7NO/c2*8-7-3-1-6(5-9)2-4-7/h2*1-5H,8H2
InChIKeyGMDXVENEISVJKB-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.16
Rot. Bonds2

About 4-aminobenzaldehyde

4-aminobenzaldehyde (PubChem CID 174906134) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-aminobenzaldehyde.

Molecular Properties

Compound Name4-aminobenzaldehyde
PubChem CID174906134
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-aminobenzaldehyde
SMILESNc1ccc(C=O)cc1.Nc1ccc(C=O)cc1
InChIInChI=1S/2C7H7NO/c2*8-7-3-1-6(5-9)2-4-7/h2*1-5H,8H2
InChIKeyGMDXVENEISVJKB-UHFFFAOYSA-N
XLogP2.16
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-aminobenzaldehyde;ethene
CID 22154861
4-(4-aminophenyl)benzaldehyde
CID 1393544
aniline;4-fluorobenzaldehyde
CID 141187411
benzene;terephthalaldehyde
CID 163498156
4-[6-(4-aminophenyl)-9-[3-(4-aminophenyl)-6-(4-formylphenyl)carbazol-9-yl]carbazol-3-yl]benzaldehyde
CID 163197766
benzaldehyde;4-methoxyaniline
CID 159915454
carbon monoxide;chromium;terephthalaldehyde
CID 11108406
4-[2,3-diamino-4-(4-formylphenyl)phenyl]benzaldehyde
CID 155775839
4-aminobenzaldehyde;6-(methylamino)hexanal
CID 145444574
4-formylbenzenediazonium
CID 12918663
4-propan-2-ylbenzaldehyde
CID 326
4-[(1E,3E)-4-[4-[(1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline
CID 18428969

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzaldehyde?
The IUPAC name of 4-aminobenzaldehyde (CID 174906134) is 4-aminobenzaldehyde.
What is the SMILES notation for 4-aminobenzaldehyde?
The canonical SMILES for 4-aminobenzaldehyde is Nc1ccc(C=O)cc1.Nc1ccc(C=O)cc1.
What is the InChIKey of 4-aminobenzaldehyde?
The InChIKey is GMDXVENEISVJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7NO/c2*8-7-3-1-6(5-9)2-4-7/h2*1-5H,8H2.
What are the key properties of 4-aminobenzaldehyde?
4-aminobenzaldehyde has a molecular weight of 242.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzaldehyde is sourced from PubChem (CID 174906134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).