2,4-dimethylbenzoic acid;1-methylcyclohexan-1-amine

C16H25NO2 — CID 118451758

IUPAC2,4-dimethylbenzoic acid;1-methylcyclohexan-1-amine
SMILESCC1(N)CCCCC1.Cc1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C9H10O2.C7H15N/c1-6-3-4-8(9(10)11)7(2)5-6;1-7(8)5-3-2-4-6-7/h3-5H,1-2H3,(H,10,11);2-6,8H2,1H3
InChIKeySTCMRSWTDTYCQL-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.67
Rot. Bonds1

About 2,4-dimethylbenzoic acid;1-methylcyclohexan-1-amine

2,4-dimethylbenzoic acid;1-methylcyclohexan-1-amine (PubChem CID 118451758) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2,4-dimethylbenzoic acid;1-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2,4-dimethylbenzoic acid;1-methylcyclohexan-1-amine
PubChem CID118451758
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2,4-dimethylbenzoic acid;1-methylcyclohexan-1-amine
SMILESCC1(N)CCCCC1.Cc1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C9H10O2.C7H15N/c1-6-3-4-8(9(10)11)7(2)5-6;1-7(8)5-3-2-4-6-7/h3-5H,1-2H3,(H,10,11);2-6,8H2,1H3
InChIKeySTCMRSWTDTYCQL-UHFFFAOYSA-N
XLogP3.67
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethylbenzoic acid;1-methylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-aminocyclohexyl)-1-(2,4-dimethylphenyl)ethanone
CID 116578896
(2,4-dimethylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79057464
2-methyl-4-[(1-methylcyclopentyl)methylamino]benzoic acid
CID 81281566
2-[(1-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid
CID 61159058
[1-[1-(2,4-dimethylbenzoyl)peroxycyclododecyl]oxycarbonyloxycyclododecyl] 2,4-dimethylbenzenecarboperoxoate
CID 139901190
4-[[2-(1-aminocyclopentyl)acetyl]amino]-2-methylbenzoic acid
CID 64676821
N-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide
CID 61118946
CID 71054457
CID 71054457
(2,5-dimethylphenyl)-(1-methylcyclohexyl)methanone
CID 106826512
5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid
CID 106826163
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
CID 162313209
CID 162313209

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylbenzoic acid;1-methylcyclohexan-1-amine?
The IUPAC name of 2,4-dimethylbenzoic acid;1-methylcyclohexan-1-amine (CID 118451758) is 2,4-dimethylbenzoic acid;1-methylcyclohexan-1-amine.
What is the SMILES notation for 2,4-dimethylbenzoic acid;1-methylcyclohexan-1-amine?
The canonical SMILES for 2,4-dimethylbenzoic acid;1-methylcyclohexan-1-amine is CC1(N)CCCCC1.Cc1ccc(C(=O)O)c(C)c1.
What is the InChIKey of 2,4-dimethylbenzoic acid;1-methylcyclohexan-1-amine?
The InChIKey is STCMRSWTDTYCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C7H15N/c1-6-3-4-8(9(10)11)7(2)5-6;1-7(8)5-3-2-4-6-7/h3-5H,1-2H3,(H,10,11);2-6,8H2,1H3.
What are the key properties of 2,4-dimethylbenzoic acid;1-methylcyclohexan-1-amine?
2,4-dimethylbenzoic acid;1-methylcyclohexan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylbenzoic acid;1-methylcyclohexan-1-amine is sourced from PubChem (CID 118451758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).