ethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate

C16H24N2O2 — CID 61305640

IUPACethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate
SMILESCCOC(=O)c1cc(N(C)C2CCCCC2)ccc1N
InChIInChI=1S/C16H24N2O2/c1-3-20-16(19)14-11-13(9-10-15(14)17)18(2)12-7-5-4-6-8-12/h9-12H,3-8,17H2,1-2H3
InChIKeyRIUKXWPUAQMUJI-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.21
Rot. Bonds4

About ethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate

ethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate (PubChem CID 61305640) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate
PubChem CID61305640
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nameethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate
SMILESCCOC(=O)c1cc(N(C)C2CCCCC2)ccc1N
InChIInChI=1S/C16H24N2O2/c1-3-20-16(19)14-11-13(9-10-15(14)17)18(2)12-7-5-4-6-8-12/h9-12H,3-8,17H2,1-2H3
InChIKeyRIUKXWPUAQMUJI-UHFFFAOYSA-N
XLogP3.21
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.21
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-5-[cycloheptyl(methyl)amino]benzamide
CID 61305211
2-amino-5-[cyclopentyl(methyl)amino]benzamide
CID 61307306
ethyl 2-amino-5-[methyl(pentan-3-yl)amino]benzoate
CID 55137191
ethyl 3-amino-2-[cyclohexyl(methyl)amino]benzoate
CID 115933967
ethyl 2-amino-5-cyclohexyloxybenzoate
CID 61312279
ethyl 5-amino-2-[cyclopentyl(methyl)amino]pyridine-4-carboxylate
CID 114090073
4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine
CID 43436341
ethyl 2-amino-5-[propan-2-yl(propyl)amino]benzoate
CID 61307358
ethyl 2-amino-5-[ethyl(2-methylpropyl)amino]benzoate
CID 61307468
ethyl 2-amino-5-cyclopentylsulfanylbenzoate
CID 63115514
ethyl 5-amino-3-chloro-2-[cyclopentyl(methyl)amino]benzoate
CID 107193832
methyl 2-amino-5-[cyclohexylmethyl(methyl)amino]benzoate
CID 63423207

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate?
The IUPAC name of ethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate (CID 61305640) is ethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate.
What is the SMILES notation for ethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate?
The canonical SMILES for ethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate is CCOC(=O)c1cc(N(C)C2CCCCC2)ccc1N.
What is the InChIKey of ethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate?
The InChIKey is RIUKXWPUAQMUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-20-16(19)14-11-13(9-10-15(14)17)18(2)12-7-5-4-6-8-12/h9-12H,3-8,17H2,1-2H3.
What are the key properties of ethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate?
ethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate has a molecular weight of 276.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate is sourced from PubChem (CID 61305640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).