4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid

C15H21NO2 — CID 60992313

IUPAC4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
SMILESCc1ccccc1NC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C15H21NO2/c1-11-7-9-15(10-8-11,14(17)18)16-13-6-4-3-5-12(13)2/h3-6,11,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyIPBSOLHEOYCHCD-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.44
Rot. Bonds3

About 4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid

4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid (PubChem CID 60992313) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
PubChem CID60992313
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
SMILESCc1ccccc1NC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C15H21NO2/c1-11-7-9-15(10-8-11,14(17)18)16-13-6-4-3-5-12(13)2/h3-6,11,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyIPBSOLHEOYCHCD-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-1-(2-methylanilino)cycloheptane-1-carboxylic acid
CID 65085552
8-(2-methylanilino)spiro[4.5]decane-8-carboxylic acid
CID 114818360
4-methyl-1-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 43341470
8-methyl-3-(2-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 60992317
1-(2-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 103563434
1-(2-carbamoyl-5-methylanilino)-4-methylcyclohexane-1-carboxylic acid
CID 62307229
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylaniline
CID 65379472
1-[(2-hydroxy-2-phenylacetyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43809184
1-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43341402
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylphenyl)acetamide
CID 62551845
1-anilino-4-methylcyclohexane-1-carboxamide
CID 54889334
1-(4-carbamoylanilino)-4-methylcyclohexane-1-carboxylic acid
CID 61289571

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid (CID 60992313) is 4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid is Cc1ccccc1NC1(C(=O)O)CCC(C)CC1.
What is the InChIKey of 4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid?
The InChIKey is IPBSOLHEOYCHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-7-9-15(10-8-11,14(17)18)16-13-6-4-3-5-12(13)2/h3-6,11,16H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid?
4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60992313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).