methyl 2-amino-6-(3,4-dimethylcyclohexyl)oxybenzoate

C16H23NO3 — CID 107341742

IUPACmethyl 2-amino-6-(3,4-dimethylcyclohexyl)oxybenzoate
SMILESCOC(=O)c1c(N)cccc1OC1CCC(C)C(C)C1
InChIInChI=1S/C16H23NO3/c1-10-7-8-12(9-11(10)2)20-14-6-4-5-13(17)15(14)16(18)19-3/h4-6,10-12H,7-9,17H2,1-3H3
InChIKeyGYBGLBMMNPPJNN-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.26
Rot. Bonds3

About methyl 2-amino-6-(3,4-dimethylcyclohexyl)oxybenzoate

methyl 2-amino-6-(3,4-dimethylcyclohexyl)oxybenzoate (PubChem CID 107341742) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 2-amino-6-(3,4-dimethylcyclohexyl)oxybenzoate.

Molecular Properties

Compound Namemethyl 2-amino-6-(3,4-dimethylcyclohexyl)oxybenzoate
PubChem CID107341742
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 2-amino-6-(3,4-dimethylcyclohexyl)oxybenzoate
SMILESCOC(=O)c1c(N)cccc1OC1CCC(C)C(C)C1
InChIInChI=1S/C16H23NO3/c1-10-7-8-12(9-11(10)2)20-14-6-4-5-13(17)15(14)16(18)19-3/h4-6,10-12H,7-9,17H2,1-3H3
InChIKeyGYBGLBMMNPPJNN-UHFFFAOYSA-N
XLogP3.26
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(3,4-dimethylcyclohexyl)oxybenzamide
CID 113333363
2-chloro-6-(3,4-dimethylcyclohexyl)oxyaniline
CID 104835060
2-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 64745909
methyl 2-amino-6-(3-ethoxypropoxy)benzoate
CID 107341819
methyl 2-amino-6-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]benzoate
CID 107341890
2-[2-(3,4-dimethylcyclohexyl)oxyphenyl]acetic acid
CID 80742277
4-amino-3-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 64740775
methyl 2-amino-6-(2,2-difluoroethoxy)benzoate
CID 107341765
2-amino-6-(3,4-dimethylcyclohexyl)oxy-3-fluorobenzoic acid
CID 83214917
2-amino-N-(2,4-dimethylcyclohexyl)-6-methoxybenzamide
CID 81420602
methyl 2-amino-6-(3-methoxypropoxy)benzoate
CID 107341764
1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene
CID 64765260

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-(3,4-dimethylcyclohexyl)oxybenzoate?
The IUPAC name of methyl 2-amino-6-(3,4-dimethylcyclohexyl)oxybenzoate (CID 107341742) is methyl 2-amino-6-(3,4-dimethylcyclohexyl)oxybenzoate.
What is the SMILES notation for methyl 2-amino-6-(3,4-dimethylcyclohexyl)oxybenzoate?
The canonical SMILES for methyl 2-amino-6-(3,4-dimethylcyclohexyl)oxybenzoate is COC(=O)c1c(N)cccc1OC1CCC(C)C(C)C1.
What is the InChIKey of methyl 2-amino-6-(3,4-dimethylcyclohexyl)oxybenzoate?
The InChIKey is GYBGLBMMNPPJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-10-7-8-12(9-11(10)2)20-14-6-4-5-13(17)15(14)16(18)19-3/h4-6,10-12H,7-9,17H2,1-3H3.
What are the key properties of methyl 2-amino-6-(3,4-dimethylcyclohexyl)oxybenzoate?
methyl 2-amino-6-(3,4-dimethylcyclohexyl)oxybenzoate has a molecular weight of 277.36 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-(3,4-dimethylcyclohexyl)oxybenzoate is sourced from PubChem (CID 107341742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).