2-(methylamino)-5-propan-2-ylbenzoic acid

C11H15NO2 — CID 130893256

IUPAC2-(methylamino)-5-propan-2-ylbenzoic acid
SMILESCNc1ccc(C(C)C)cc1C(=O)O
InChIInChI=1S/C11H15NO2/c1-7(2)8-4-5-10(12-3)9(6-8)11(13)14/h4-7,12H,1-3H3,(H,13,14)
InChIKeyKIBJPFYEICHSCP-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.55
Rot. Bonds3

About 2-(methylamino)-5-propan-2-ylbenzoic acid

2-(methylamino)-5-propan-2-ylbenzoic acid (PubChem CID 130893256) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(methylamino)-5-propan-2-ylbenzoic acid.

Molecular Properties

Compound Name2-(methylamino)-5-propan-2-ylbenzoic acid
PubChem CID130893256
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(methylamino)-5-propan-2-ylbenzoic acid
SMILESCNc1ccc(C(C)C)cc1C(=O)O
InChIInChI=1S/C11H15NO2/c1-7(2)8-4-5-10(12-3)9(6-8)11(13)14/h4-7,12H,1-3H3,(H,13,14)
InChIKeyKIBJPFYEICHSCP-UHFFFAOYSA-N
XLogP2.55
TPSA49.33 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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-5-propan-2-ylbenzoic acid
CID 12540049
5-amino-2-(methylamino)benzoic acid
CID 19006283
2-methyl-4-propan-2-ylbenzoic acid
CID 22444417
5-propan-2-yl-2-[2,4,6-tris(methylamino)anilino]benzamide
CID 174595402
2-iodo-4-propan-2-ylbenzoic acid
CID 131312155
4-propan-2-yl-2-propan-2-yloxybenzoic acid
CID 164827443
2-(methylamino)-5-propan-2-ylbenzenethiol
CID 1482375
2-fluoro-N-methyl-4-propan-2-ylaniline
CID 58786905
5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45433715
5-(benzhydrylcarbamoyl)-2-(methylamino)benzoic acid
CID 141427341
2-tert-butyl-4-propan-2-ylbenzoic acid
CID 70422407
5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45434078

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-5-propan-2-ylbenzoic acid?
The IUPAC name of 2-(methylamino)-5-propan-2-ylbenzoic acid (CID 130893256) is 2-(methylamino)-5-propan-2-ylbenzoic acid.
What is the SMILES notation for 2-(methylamino)-5-propan-2-ylbenzoic acid?
The canonical SMILES for 2-(methylamino)-5-propan-2-ylbenzoic acid is CNc1ccc(C(C)C)cc1C(=O)O.
What is the InChIKey of 2-(methylamino)-5-propan-2-ylbenzoic acid?
The InChIKey is KIBJPFYEICHSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7(2)8-4-5-10(12-3)9(6-8)11(13)14/h4-7,12H,1-3H3,(H,13,14).
What are the key properties of 2-(methylamino)-5-propan-2-ylbenzoic acid?
2-(methylamino)-5-propan-2-ylbenzoic acid has a molecular weight of 193.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-5-propan-2-ylbenzoic acid is sourced from PubChem (CID 130893256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).