ethyl 2-amino-5-cyclohexyloxybenzoate

C15H21NO3 — CID 61312279

IUPACethyl 2-amino-5-cyclohexyloxybenzoate
SMILESCCOC(=O)c1cc(OC2CCCCC2)ccc1N
InChIInChI=1S/C15H21NO3/c1-2-18-15(17)13-10-12(8-9-14(13)16)19-11-6-4-3-5-7-11/h8-11H,2-7,16H2,1H3
InChIKeyMCIDKVGESYJVFY-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.16
Rot. Bonds4

About ethyl 2-amino-5-cyclohexyloxybenzoate

ethyl 2-amino-5-cyclohexyloxybenzoate (PubChem CID 61312279) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 2-amino-5-cyclohexyloxybenzoate.

Molecular Properties

Compound Nameethyl 2-amino-5-cyclohexyloxybenzoate
PubChem CID61312279
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 2-amino-5-cyclohexyloxybenzoate
SMILESCCOC(=O)c1cc(OC2CCCCC2)ccc1N
InChIInChI=1S/C15H21NO3/c1-2-18-15(17)13-10-12(8-9-14(13)16)19-11-6-4-3-5-7-11/h8-11H,2-7,16H2,1H3
InChIKeyMCIDKVGESYJVFY-UHFFFAOYSA-N
XLogP3.16
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.16
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

1-(2-amino-5-cyclohexyloxyphenyl)ethanone
CID 113433081
ethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate
CID 61305640
ethyl 4-amino-3-cyclohexyloxybenzoate
CID 82796678
ethyl 5-amino-3-chloro-2-cycloheptyloxybenzoate
CID 107197699
ethyl 2-amino-5-cyclopentylsulfanylbenzoate
CID 63115514
ethyl 2-amino-5-(4-methylphenoxy)benzoate
CID 63423730
methyl 2-amino-5-(1-methylpiperidin-4-yl)oxybenzoate
CID 61307094
ethyl 2-amino-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]benzoate
CID 104968336
2-amino-5-(4,4-dimethylcyclohexyl)oxybenzoic acid
CID 114341710
ethyl 2-amino-5-(4-bromophenoxy)benzoate
CID 63423182
4-cyclobutyloxy-2-ethoxyaniline
CID 63677607
ethyl 5-amino-2-(cyclobutylamino)benzoate
CID 62413866

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-cyclohexyloxybenzoate?
The IUPAC name of ethyl 2-amino-5-cyclohexyloxybenzoate (CID 61312279) is ethyl 2-amino-5-cyclohexyloxybenzoate.
What is the SMILES notation for ethyl 2-amino-5-cyclohexyloxybenzoate?
The canonical SMILES for ethyl 2-amino-5-cyclohexyloxybenzoate is CCOC(=O)c1cc(OC2CCCCC2)ccc1N.
What is the InChIKey of ethyl 2-amino-5-cyclohexyloxybenzoate?
The InChIKey is MCIDKVGESYJVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-18-15(17)13-10-12(8-9-14(13)16)19-11-6-4-3-5-7-11/h8-11H,2-7,16H2,1H3.
What are the key properties of ethyl 2-amino-5-cyclohexyloxybenzoate?
ethyl 2-amino-5-cyclohexyloxybenzoate has a molecular weight of 263.34 g/mol, XLogP of 3.16, 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-cyclohexyloxybenzoate is sourced from PubChem (CID 61312279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).