2-(4,5-diamino-2-methylphenyl)propanamide

C10H15N3O — CID 175309990

IUPAC2-(4,5-diamino-2-methylphenyl)propanamide
SMILESCc1cc(N)c(N)cc1C(C)C(N)=O
InChIInChI=1S/C10H15N3O/c1-5-3-8(11)9(12)4-7(5)6(2)10(13)14/h3-4,6H,11-12H2,1-2H3,(H2,13,14)
InChIKeyHLYVTQOMWIHVCC-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.75
Rot. Bonds2

About 2-(4,5-diamino-2-methylphenyl)propanamide

2-(4,5-diamino-2-methylphenyl)propanamide (PubChem CID 175309990) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(4,5-diamino-2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(4,5-diamino-2-methylphenyl)propanamide
PubChem CID175309990
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(4,5-diamino-2-methylphenyl)propanamide
SMILESCc1cc(N)c(N)cc1C(C)C(N)=O
InChIInChI=1S/C10H15N3O/c1-5-3-8(11)9(12)4-7(5)6(2)10(13)14/h3-4,6H,11-12H2,1-2H3,(H2,13,14)
InChIKeyHLYVTQOMWIHVCC-UHFFFAOYSA-N
XLogP0.75
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide
CID 171899146
2-(2-methylphenyl)propanamide;dihydrochloride
CID 162317897
4-(difluoromethyl)-5-methylbenzene-1,2-diamine
CID 171010491
2-(4-amino-2,5-dimethylphenoxy)propanamide
CID 63181130
tert-butyl N-[3-(4,5-diamino-2-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170832087
2-(2,5-difluorophenyl)propanamide
CID 141213802
1-[2-amino-4-(difluoromethyl)-5-methylphenyl]ethanone
CID 170996744
(2R)-2-(3-methyl-4-methylsulfanylphenyl)propanamide
CID 154255414
2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47095242
2-(2-chloro-4-fluorophenyl)propanamide
CID 155026296
methyl 3-(4-amino-5-fluoro-2-methylphenyl)-2,3-dihydroxypropanoate
CID 171864078
methyl 4-(4-amino-5-fluoro-2-methylphenyl)-3,4-dihydroxybutanoate
CID 171895606

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diamino-2-methylphenyl)propanamide?
The IUPAC name of 2-(4,5-diamino-2-methylphenyl)propanamide (CID 175309990) is 2-(4,5-diamino-2-methylphenyl)propanamide.
What is the SMILES notation for 2-(4,5-diamino-2-methylphenyl)propanamide?
The canonical SMILES for 2-(4,5-diamino-2-methylphenyl)propanamide is Cc1cc(N)c(N)cc1C(C)C(N)=O.
What is the InChIKey of 2-(4,5-diamino-2-methylphenyl)propanamide?
The InChIKey is HLYVTQOMWIHVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-5-3-8(11)9(12)4-7(5)6(2)10(13)14/h3-4,6H,11-12H2,1-2H3,(H2,13,14).
What are the key properties of 2-(4,5-diamino-2-methylphenyl)propanamide?
2-(4,5-diamino-2-methylphenyl)propanamide has a molecular weight of 193.25 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diamino-2-methylphenyl)propanamide is sourced from PubChem (CID 175309990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).