2-(ethylamino)-6-methylbenzoic acid

C10H13NO2 — CID 13478134

IUPAC2-(ethylamino)-6-methylbenzoic acid
SMILESCCNc1cccc(C)c1C(=O)O
InChIInChI=1S/C10H13NO2/c1-3-11-8-6-4-5-7(2)9(8)10(12)13/h4-6,11H,3H2,1-2H3,(H,12,13)
InChIKeyZNSPNQTVEYUUCT-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.13
Rot. Bonds3

About 2-(ethylamino)-6-methylbenzoic acid

2-(ethylamino)-6-methylbenzoic acid (PubChem CID 13478134) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(ethylamino)-6-methylbenzoic acid.

Molecular Properties

Compound Name2-(ethylamino)-6-methylbenzoic acid
PubChem CID13478134
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-(ethylamino)-6-methylbenzoic acid
SMILESCCNc1cccc(C)c1C(=O)O
InChIInChI=1S/C10H13NO2/c1-3-11-8-6-4-5-7(2)9(8)10(12)13/h4-6,11H,3H2,1-2H3,(H,12,13)
InChIKeyZNSPNQTVEYUUCT-UHFFFAOYSA-N
XLogP2.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(ethylamino)-6-methylbenzoate
CID 130734584
2-acetamido-6-methylbenzoic acid
CID 2801400
2-[(3-amino-3-methylbutanoyl)amino]-6-methylbenzoic acid
CID 64676890
2-(3-ethylpentan-3-ylcarbamoylamino)-6-methylbenzoic acid
CID 65042747
2-methyl-6-(sulfamoylamino)benzoic acid
CID 114958898
2-[[5-hydroxypentyl(methyl)carbamoyl]amino]-6-methylbenzoic acid
CID 107201429
2-(diethylamino)ethyl 2-(ethylamino)-6-methylbenzoate;dihydrochloride
CID 13478121
2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid
CID 114343361
2,6-dimethylbenzohydrazide;2,6-dimethylbenzoic acid
CID 161062833
2-[(3,5-dibromobenzoyl)amino]-6-methylbenzoic acid
CID 107971461
CID 175798397
CID 175798397
2-[(Z)-but-2-en-2-yl]-1-N,3-N-diethylbenzene-1,3-diamine
CID 174672832

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6-methylbenzoic acid?
The IUPAC name of 2-(ethylamino)-6-methylbenzoic acid (CID 13478134) is 2-(ethylamino)-6-methylbenzoic acid.
What is the SMILES notation for 2-(ethylamino)-6-methylbenzoic acid?
The canonical SMILES for 2-(ethylamino)-6-methylbenzoic acid is CCNc1cccc(C)c1C(=O)O.
What is the InChIKey of 2-(ethylamino)-6-methylbenzoic acid?
The InChIKey is ZNSPNQTVEYUUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-11-8-6-4-5-7(2)9(8)10(12)13/h4-6,11H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-(ethylamino)-6-methylbenzoic acid?
2-(ethylamino)-6-methylbenzoic acid has a molecular weight of 179.22 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6-methylbenzoic acid is sourced from PubChem (CID 13478134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).