4-amino-3-methylbenzaldehyde;3,4-dimethylbenzaldehyde

C17H19NO2 — CID 161093718

IUPAC4-amino-3-methylbenzaldehyde;3,4-dimethylbenzaldehyde
SMILESCc1cc(C=O)ccc1N.Cc1ccc(C=O)cc1C
InChIInChI=1S/C9H10O.C8H9NO/c1-7-3-4-9(6-10)5-8(7)2;1-6-4-7(5-10)2-3-8(6)9/h3-6H,1-2H3;2-5H,9H2,1H3
InChIKeyUHMYMUVXBCTLFI-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.51
Rot. Bonds2

About 4-amino-3-methylbenzaldehyde;3,4-dimethylbenzaldehyde

4-amino-3-methylbenzaldehyde;3,4-dimethylbenzaldehyde (PubChem CID 161093718) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-amino-3-methylbenzaldehyde;3,4-dimethylbenzaldehyde.

Molecular Properties

Compound Name4-amino-3-methylbenzaldehyde;3,4-dimethylbenzaldehyde
PubChem CID161093718
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-amino-3-methylbenzaldehyde;3,4-dimethylbenzaldehyde
SMILESCc1cc(C=O)ccc1N.Cc1ccc(C=O)cc1C
InChIInChI=1S/C9H10O.C8H9NO/c1-7-3-4-9(6-10)5-8(7)2;1-6-4-7(5-10)2-3-8(6)9/h3-6H,1-2H3;2-5H,9H2,1H3
InChIKeyUHMYMUVXBCTLFI-UHFFFAOYSA-N
XLogP3.51
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.51
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-amino-3-methylbenzaldehyde;butane;ethane
CID 143664770
4-(dimethoxymethyl)-1,2-dimethylbenzene;3,4-dimethylbenzaldehyde
CID 157176627
(E)-4-(4-amino-3-methylphenyl)but-3-en-2-one
CID 155030375
CID 142080212
CID 142080212
4-(bromomethyl)-3-methylbenzaldehyde
CID 134217544
N-(4-formyl-2-methylphenyl)formamide
CID 144615218
3-amino-4-chloro-5-methylbenzaldehyde
CID 145380642
3-tert-butyl-4-methylbenzaldehyde
CID 82644204
4-[bis(3,4-dimethylphenyl)methyl]benzaldehyde
CID 44551381
3-amino-4-(3-bromopropylamino)benzaldehyde
CID 126500142
4-amino-3-[2-(2-amino-5-methylphenoxy)ethenoxy]benzaldehyde
CID 152745146
3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzaldehyde
CID 87059060

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methylbenzaldehyde;3,4-dimethylbenzaldehyde?
The IUPAC name of 4-amino-3-methylbenzaldehyde;3,4-dimethylbenzaldehyde (CID 161093718) is 4-amino-3-methylbenzaldehyde;3,4-dimethylbenzaldehyde.
What is the SMILES notation for 4-amino-3-methylbenzaldehyde;3,4-dimethylbenzaldehyde?
The canonical SMILES for 4-amino-3-methylbenzaldehyde;3,4-dimethylbenzaldehyde is Cc1cc(C=O)ccc1N.Cc1ccc(C=O)cc1C.
What is the InChIKey of 4-amino-3-methylbenzaldehyde;3,4-dimethylbenzaldehyde?
The InChIKey is UHMYMUVXBCTLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C8H9NO/c1-7-3-4-9(6-10)5-8(7)2;1-6-4-7(5-10)2-3-8(6)9/h3-6H,1-2H3;2-5H,9H2,1H3.
What are the key properties of 4-amino-3-methylbenzaldehyde;3,4-dimethylbenzaldehyde?
4-amino-3-methylbenzaldehyde;3,4-dimethylbenzaldehyde has a molecular weight of 269.34 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methylbenzaldehyde;3,4-dimethylbenzaldehyde is sourced from PubChem (CID 161093718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).