4-amino-2-(3-amino-6-formyl-2-methylphenyl)-3-methylbenzaldehyde

C16H16N2O2 — CID 155385012

IUPAC4-amino-2-(3-amino-6-formyl-2-methylphenyl)-3-methylbenzaldehyde
SMILESCc1c(N)ccc(C=O)c1-c1c(C=O)ccc(N)c1C
InChIInChI=1S/C16H16N2O2/c1-9-13(17)5-3-11(7-19)15(9)16-10(2)14(18)6-4-12(16)8-20/h3-8H,17-18H2,1-2H3
InChIKeyFQDXPBDKMUWILR-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.76
Rot. Bonds3

About 4-amino-2-(3-amino-6-formyl-2-methylphenyl)-3-methylbenzaldehyde

4-amino-2-(3-amino-6-formyl-2-methylphenyl)-3-methylbenzaldehyde (PubChem CID 155385012) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-amino-2-(3-amino-6-formyl-2-methylphenyl)-3-methylbenzaldehyde.

Molecular Properties

Compound Name4-amino-2-(3-amino-6-formyl-2-methylphenyl)-3-methylbenzaldehyde
PubChem CID155385012
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name4-amino-2-(3-amino-6-formyl-2-methylphenyl)-3-methylbenzaldehyde
SMILESCc1c(N)ccc(C=O)c1-c1c(C=O)ccc(N)c1C
InChIInChI=1S/C16H16N2O2/c1-9-13(17)5-3-11(7-19)15(9)16-10(2)14(18)6-4-12(16)8-20/h3-8H,17-18H2,1-2H3
InChIKeyFQDXPBDKMUWILR-UHFFFAOYSA-N
XLogP2.76
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.76
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-amino-2,3-bis(4-methylphenyl)benzaldehyde
CID 141187820
4-amino-3-(2-hydroxyethyl)-2-methylbenzaldehyde
CID 141157639
3-(4-amino-2-chloro-3-methylphenyl)prop-2-enal
CID 169459079
3-amino-4-methoxy-2-methylbenzaldehyde
CID 150747577
2,3-dimethylbenzene-1,4-diamine;oxalic acid
CID 70167322
4-[(E)-2-(dimethylamino)ethenyl]-2-methylbenzene-1,3-diamine
CID 89071341
2-(2-fluoro-6-formylphenyl)-3-methylbenzaldehyde
CID 175847357
5-amino-4-methyl-1-benzothiophene-2-carbaldehyde
CID 130956428
4-amino-2,3-bis[3-(aminomethyl)phenyl]benzaldehyde
CID 174714308
2,3-dimethylbenzaldehyde;hydrazine
CID 158628869
4-(3-bromoprop-1-enyl)-2,3-dimethylaniline
CID 169475520
5-amino-1,4-dimethylindole-2-carbaldehyde
CID 89147541

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-amino-6-formyl-2-methylphenyl)-3-methylbenzaldehyde?
The IUPAC name of 4-amino-2-(3-amino-6-formyl-2-methylphenyl)-3-methylbenzaldehyde (CID 155385012) is 4-amino-2-(3-amino-6-formyl-2-methylphenyl)-3-methylbenzaldehyde.
What is the SMILES notation for 4-amino-2-(3-amino-6-formyl-2-methylphenyl)-3-methylbenzaldehyde?
The canonical SMILES for 4-amino-2-(3-amino-6-formyl-2-methylphenyl)-3-methylbenzaldehyde is Cc1c(N)ccc(C=O)c1-c1c(C=O)ccc(N)c1C.
What is the InChIKey of 4-amino-2-(3-amino-6-formyl-2-methylphenyl)-3-methylbenzaldehyde?
The InChIKey is FQDXPBDKMUWILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-9-13(17)5-3-11(7-19)15(9)16-10(2)14(18)6-4-12(16)8-20/h3-8H,17-18H2,1-2H3.
What are the key properties of 4-amino-2-(3-amino-6-formyl-2-methylphenyl)-3-methylbenzaldehyde?
4-amino-2-(3-amino-6-formyl-2-methylphenyl)-3-methylbenzaldehyde has a molecular weight of 268.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-amino-6-formyl-2-methylphenyl)-3-methylbenzaldehyde is sourced from PubChem (CID 155385012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).