methyl 4-[2-(aminomethyl)cyclohexyl]oxybenzoate

C15H21NO3 — CID 117053537

IUPACmethyl 4-[2-(aminomethyl)cyclohexyl]oxybenzoate
SMILESCOC(=O)c1ccc(OC2CCCCC2CN)cc1
InChIInChI=1S/C15H21NO3/c1-18-15(17)11-6-8-13(9-7-11)19-14-5-3-2-4-12(14)10-16/h6-9,12,14H,2-5,10,16H2,1H3
InChIKeyPDXYUTVEYGRUKK-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.37
Rot. Bonds4

About methyl 4-[2-(aminomethyl)cyclohexyl]oxybenzoate

methyl 4-[2-(aminomethyl)cyclohexyl]oxybenzoate (PubChem CID 117053537) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 4-[2-(aminomethyl)cyclohexyl]oxybenzoate.

Molecular Properties

Compound Namemethyl 4-[2-(aminomethyl)cyclohexyl]oxybenzoate
PubChem CID117053537
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 4-[2-(aminomethyl)cyclohexyl]oxybenzoate
SMILESCOC(=O)c1ccc(OC2CCCCC2CN)cc1
InChIInChI=1S/C15H21NO3/c1-18-15(17)11-6-8-13(9-7-11)19-14-5-3-2-4-12(14)10-16/h6-9,12,14H,2-5,10,16H2,1H3
InChIKeyPDXYUTVEYGRUKK-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-(aminomethyl)cyclohexyl]oxybenzoate
CID 117053616
4-[2-(aminomethyl)cyclohexyl]oxybenzoic acid
CID 117053471
[2-[4-(2-methoxyethyl)phenoxy]cyclohexyl]methanamine
CID 43294234
methyl 4-[2-(aminomethyl)cyclopentyl]oxypyrimidine-2-carboxylate
CID 66286549
[2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine
CID 43293934
[2-[4-(2-methoxyethyl)phenoxy]cyclopentyl]methanamine
CID 43294230
methyl 4-(3-aminocyclobutyl)oxybenzoate
CID 156504136
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
methyl 4-(3-cyclopentyl-2-hydroxypropoxy)benzoate
CID 103156169
4-(2-ethylcyclohexyl)oxybenzenecarboximidamide
CID 43188248
methyl 4-[(R)-amino(cyclopentyl)methyl]benzoate
CID 171212684
methyl 4-(2,2-dimethylpropanoyloxymethoxy)benzoate
CID 175855563

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(aminomethyl)cyclohexyl]oxybenzoate?
The IUPAC name of methyl 4-[2-(aminomethyl)cyclohexyl]oxybenzoate (CID 117053537) is methyl 4-[2-(aminomethyl)cyclohexyl]oxybenzoate.
What is the SMILES notation for methyl 4-[2-(aminomethyl)cyclohexyl]oxybenzoate?
The canonical SMILES for methyl 4-[2-(aminomethyl)cyclohexyl]oxybenzoate is COC(=O)c1ccc(OC2CCCCC2CN)cc1.
What is the InChIKey of methyl 4-[2-(aminomethyl)cyclohexyl]oxybenzoate?
The InChIKey is PDXYUTVEYGRUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-15(17)11-6-8-13(9-7-11)19-14-5-3-2-4-12(14)10-16/h6-9,12,14H,2-5,10,16H2,1H3.
What are the key properties of methyl 4-[2-(aminomethyl)cyclohexyl]oxybenzoate?
methyl 4-[2-(aminomethyl)cyclohexyl]oxybenzoate has a molecular weight of 263.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(aminomethyl)cyclohexyl]oxybenzoate is sourced from PubChem (CID 117053537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).