methyl 3-[2-(aminomethyl)cyclohexyl]oxybenzoate

C15H21NO3 — CID 117053616

IUPACmethyl 3-[2-(aminomethyl)cyclohexyl]oxybenzoate
SMILESCOC(=O)c1cccc(OC2CCCCC2CN)c1
InChIInChI=1S/C15H21NO3/c1-18-15(17)11-6-4-7-13(9-11)19-14-8-3-2-5-12(14)10-16/h4,6-7,9,12,14H,2-3,5,8,10,16H2,1H3
InChIKeyQPHVBPAGTLSURC-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.37
Rot. Bonds4

About methyl 3-[2-(aminomethyl)cyclohexyl]oxybenzoate

methyl 3-[2-(aminomethyl)cyclohexyl]oxybenzoate (PubChem CID 117053616) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 3-[2-(aminomethyl)cyclohexyl]oxybenzoate.

Molecular Properties

Compound Namemethyl 3-[2-(aminomethyl)cyclohexyl]oxybenzoate
PubChem CID117053616
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 3-[2-(aminomethyl)cyclohexyl]oxybenzoate
SMILESCOC(=O)c1cccc(OC2CCCCC2CN)c1
InChIInChI=1S/C15H21NO3/c1-18-15(17)11-6-4-7-13(9-11)19-14-8-3-2-5-12(14)10-16/h4,6-7,9,12,14H,2-3,5,8,10,16H2,1H3
InChIKeyQPHVBPAGTLSURC-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 4-[2-(aminomethyl)cyclohexyl]oxybenzoate
CID 117053537
[3-[2-(aminomethyl)cyclohexyl]oxyphenyl]methanol
CID 115002126
methyl 3-(4-amino-1,1-dioxothiolan-3-yl)oxybenzoate
CID 117053605
[2-(3-tert-butylphenoxy)cyclopentyl]methanamine
CID 43294221
[2-(3-fluorophenoxy)cyclopentyl]methanamine
CID 43293996
4-[2-(aminomethyl)cyclohexyl]oxybenzoic acid
CID 117053471
methyl 3-(3-aminocyclohexyl)oxybenzoate
CID 117053613
N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride
CID 119611218
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide
CID 119609171
methyl 3-carbamoyloxybenzoate
CID 795113
methyl 4-[2-(aminomethyl)cyclopentyl]oxypyrimidine-2-carboxylate
CID 66286549
3-cyclopentyloxybenzamide
CID 71932153

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(aminomethyl)cyclohexyl]oxybenzoate?
The IUPAC name of methyl 3-[2-(aminomethyl)cyclohexyl]oxybenzoate (CID 117053616) is methyl 3-[2-(aminomethyl)cyclohexyl]oxybenzoate.
What is the SMILES notation for methyl 3-[2-(aminomethyl)cyclohexyl]oxybenzoate?
The canonical SMILES for methyl 3-[2-(aminomethyl)cyclohexyl]oxybenzoate is COC(=O)c1cccc(OC2CCCCC2CN)c1.
What is the InChIKey of methyl 3-[2-(aminomethyl)cyclohexyl]oxybenzoate?
The InChIKey is QPHVBPAGTLSURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-15(17)11-6-4-7-13(9-11)19-14-8-3-2-5-12(14)10-16/h4,6-7,9,12,14H,2-3,5,8,10,16H2,1H3.
What are the key properties of methyl 3-[2-(aminomethyl)cyclohexyl]oxybenzoate?
methyl 3-[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 3-[2-(aminomethyl)cyclohexyl]oxybenzoate is sourced from PubChem (CID 117053616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).