6-amino-2-methyl-3-propylbenzoic acid

C11H15NO2 — CID 91609404

IUPAC6-amino-2-methyl-3-propylbenzoic acid
SMILESCCCc1ccc(N)c(C(=O)O)c1C
InChIInChI=1S/C11H15NO2/c1-3-4-8-5-6-9(12)10(7(8)2)11(13)14/h5-6H,3-4,12H2,1-2H3,(H,13,14)
InChIKeyGSHFCLQVPVRUMK-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.23
Rot. Bonds3

About 6-amino-2-methyl-3-propylbenzoic acid

6-amino-2-methyl-3-propylbenzoic acid (PubChem CID 91609404) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 6-amino-2-methyl-3-propylbenzoic acid.

Molecular Properties

Compound Name6-amino-2-methyl-3-propylbenzoic acid
PubChem CID91609404
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name6-amino-2-methyl-3-propylbenzoic acid
SMILESCCCc1ccc(N)c(C(=O)O)c1C
InChIInChI=1S/C11H15NO2/c1-3-4-8-5-6-9(12)10(7(8)2)11(13)14/h5-6H,3-4,12H2,1-2H3,(H,13,14)
InChIKeyGSHFCLQVPVRUMK-UHFFFAOYSA-N
XLogP2.23
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-3-bromo-2-methylbenzoic acid
CID 15885809
6-amino-3-[(1,3-dioxoisoindol-2-yl)methyl]-2-methylbenzoic acid
CID 23444673
4-heptadecyl-3-methylphthalic acid
CID 69470655
2-methyl-3,4-dipropylaniline
CID 70515438
1-ethyl-2,3-dimethyl-4-propylbenzene
CID 86110138
2,6-dihydroxy-3-propylbenzoic acid
CID 67658629
2-(3-amino-4-propylphenyl)acetic acid
CID 68878432
2-amino-3-hydroxy-4-propylbenzoic acid
CID 12532264
4-propyl-3-undecylphthalic acid
CID 69473575
6-amino-2-hydroxy-3-methoxybenzoic acid
CID 84768914
2-methyl-3-propylbenzamide
CID 66693156
3-(hydroxymethyl)-2,6-dimethylbenzoic acid
CID 58543757

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-3-propylbenzoic acid?
The IUPAC name of 6-amino-2-methyl-3-propylbenzoic acid (CID 91609404) is 6-amino-2-methyl-3-propylbenzoic acid.
What is the SMILES notation for 6-amino-2-methyl-3-propylbenzoic acid?
The canonical SMILES for 6-amino-2-methyl-3-propylbenzoic acid is CCCc1ccc(N)c(C(=O)O)c1C.
What is the InChIKey of 6-amino-2-methyl-3-propylbenzoic acid?
The InChIKey is GSHFCLQVPVRUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-4-8-5-6-9(12)10(7(8)2)11(13)14/h5-6H,3-4,12H2,1-2H3,(H,13,14).
What are the key properties of 6-amino-2-methyl-3-propylbenzoic acid?
6-amino-2-methyl-3-propylbenzoic acid has a molecular weight of 193.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-3-propylbenzoic acid is sourced from PubChem (CID 91609404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).