4-(dimethylamino)-2-methylbenzoic acid

C10H13NO2 — CID 11959004

IUPAC4-(dimethylamino)-2-methylbenzoic acid
SMILESCc1cc(N(C)C)ccc1C(=O)O
InChIInChI=1S/C10H13NO2/c1-7-6-8(11(2)3)4-5-9(7)10(12)13/h4-6H,1-3H3,(H,12,13)
InChIKeyHQUVDYDVMXKDAL-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.76
Rot. Bonds2

About 4-(dimethylamino)-2-methylbenzoic acid

4-(dimethylamino)-2-methylbenzoic acid (PubChem CID 11959004) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-(dimethylamino)-2-methylbenzoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-2-methylbenzoic acid
PubChem CID11959004
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4-(dimethylamino)-2-methylbenzoic acid
SMILESCc1cc(N(C)C)ccc1C(=O)O
InChIInChI=1S/C10H13NO2/c1-7-6-8(11(2)3)4-5-9(7)10(12)13/h4-6H,1-3H3,(H,12,13)
InChIKeyHQUVDYDVMXKDAL-UHFFFAOYSA-N
XLogP1.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-methylbenzoic acid?
The IUPAC name of 4-(dimethylamino)-2-methylbenzoic acid (CID 11959004) is 4-(dimethylamino)-2-methylbenzoic acid.
What is the SMILES notation for 4-(dimethylamino)-2-methylbenzoic acid?
The canonical SMILES for 4-(dimethylamino)-2-methylbenzoic acid is Cc1cc(N(C)C)ccc1C(=O)O.
What is the InChIKey of 4-(dimethylamino)-2-methylbenzoic acid?
The InChIKey is HQUVDYDVMXKDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-6-8(11(2)3)4-5-9(7)10(12)13/h4-6H,1-3H3,(H,12,13).
What are the key properties of 4-(dimethylamino)-2-methylbenzoic acid?
4-(dimethylamino)-2-methylbenzoic acid has a molecular weight of 179.22 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-methylbenzoic acid is sourced from PubChem (CID 11959004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).