methyl 3-(3-aminocyclohexyl)oxybenzoate

C14H19NO3 — CID 117053613

IUPACmethyl 3-(3-aminocyclohexyl)oxybenzoate
SMILESCOC(=O)c1cccc(OC2CCCC(N)C2)c1
InChIInChI=1S/C14H19NO3/c1-17-14(16)10-4-2-6-12(8-10)18-13-7-3-5-11(15)9-13/h2,4,6,8,11,13H,3,5,7,9,15H2,1H3
InChIKeyNRYHNONUJFOZCS-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.12
Rot. Bonds3

About methyl 3-(3-aminocyclohexyl)oxybenzoate

methyl 3-(3-aminocyclohexyl)oxybenzoate (PubChem CID 117053613) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 3-(3-aminocyclohexyl)oxybenzoate.

Molecular Properties

Compound Namemethyl 3-(3-aminocyclohexyl)oxybenzoate
PubChem CID117053613
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 3-(3-aminocyclohexyl)oxybenzoate
SMILESCOC(=O)c1cccc(OC2CCCC(N)C2)c1
InChIInChI=1S/C14H19NO3/c1-17-14(16)10-4-2-6-12(8-10)18-13-7-3-5-11(15)9-13/h2,4,6,8,11,13H,3,5,7,9,15H2,1H3
InChIKeyNRYHNONUJFOZCS-UHFFFAOYSA-N
XLogP2.12
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyloxybenzamide
CID 71932153
1-(3-cyclohexyloxyphenyl)ethanone
CID 43208744
methyl 4-(3-aminocyclobutyl)oxybenzoate
CID 156504136
methyl 3-[2-(aminomethyl)cyclohexyl]oxybenzoate
CID 117053616
methyl 3-[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]oxybenzoate
CID 16756063
methyl 3-(4-amino-1,1-dioxothiolan-3-yl)oxybenzoate
CID 117053605
3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid
CID 118929960
methyl 3-[(4-cyclopentyloxyphenyl)sulfonylamino]benzoate
CID 110424099
1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one
CID 114523725
4-(3-aminocyclohexyl)oxy-2-bromobenzamide
CID 107281575
1-cyclopropyloxy-3-(1-methoxyethenyl)benzene
CID 70286817
(1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523853

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-aminocyclohexyl)oxybenzoate?
The IUPAC name of methyl 3-(3-aminocyclohexyl)oxybenzoate (CID 117053613) is methyl 3-(3-aminocyclohexyl)oxybenzoate.
What is the SMILES notation for methyl 3-(3-aminocyclohexyl)oxybenzoate?
The canonical SMILES for methyl 3-(3-aminocyclohexyl)oxybenzoate is COC(=O)c1cccc(OC2CCCC(N)C2)c1.
What is the InChIKey of methyl 3-(3-aminocyclohexyl)oxybenzoate?
The InChIKey is NRYHNONUJFOZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-14(16)10-4-2-6-12(8-10)18-13-7-3-5-11(15)9-13/h2,4,6,8,11,13H,3,5,7,9,15H2,1H3.
What are the key properties of methyl 3-(3-aminocyclohexyl)oxybenzoate?
methyl 3-(3-aminocyclohexyl)oxybenzoate has a molecular weight of 249.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-aminocyclohexyl)oxybenzoate is sourced from PubChem (CID 117053613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).