methyl 3-(3-ethylphenoxy)-1-(methylamino)cyclohexane-1-carboxylate

C17H25NO3 — CID 79634921

IUPACmethyl 3-(3-ethylphenoxy)-1-(methylamino)cyclohexane-1-carboxylate
SMILESCCc1cccc(OC2CCCC(NC)(C(=O)OC)C2)c1
InChIInChI=1S/C17H25NO3/c1-4-13-7-5-8-14(11-13)21-15-9-6-10-17(12-15,18-2)16(19)20-3/h5,7-8,11,15,18H,4,6,9-10,12H2,1-3H3
InChIKeyAZWDNIXKABEKJM-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.70
Rot. Bonds5

About methyl 3-(3-ethylphenoxy)-1-(methylamino)cyclohexane-1-carboxylate

methyl 3-(3-ethylphenoxy)-1-(methylamino)cyclohexane-1-carboxylate (PubChem CID 79634921) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 3-(3-ethylphenoxy)-1-(methylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-ethylphenoxy)-1-(methylamino)cyclohexane-1-carboxylate
PubChem CID79634921
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namemethyl 3-(3-ethylphenoxy)-1-(methylamino)cyclohexane-1-carboxylate
SMILESCCc1cccc(OC2CCCC(NC)(C(=O)OC)C2)c1
InChIInChI=1S/C17H25NO3/c1-4-13-7-5-8-14(11-13)21-15-9-6-10-17(12-15,18-2)16(19)20-3/h5,7-8,11,15,18H,4,6,9-10,12H2,1-3H3
InChIKeyAZWDNIXKABEKJM-UHFFFAOYSA-N
XLogP2.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-(hydroxymethyl)phenoxy]-1-(methylamino)cyclohexane-1-carboxylate
CID 79634581
methyl 3-(3,5-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxylate
CID 79635434
methyl 1-(methylamino)-3-(3-nitrophenoxy)cyclopentane-1-carboxylate
CID 79646437
3-(3-fluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 79637419
3-[3-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxamide
CID 79648806
(3-ethylphenoxy)cyclooctane
CID 91220327
methyl 1-(ethylamino)-3-(4-fluorophenoxy)cyclohexane-1-carboxylate
CID 79635107
methyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate
CID 79648611
methyl 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclopentane-1-carboxylate
CID 79647932
1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 79635234
1-amino-3-[3-(hydroxymethyl)phenoxy]cyclohexane-1-carboxamide
CID 79637537
methyl 3-[2-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxylate
CID 79648403

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-ethylphenoxy)-1-(methylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 3-(3-ethylphenoxy)-1-(methylamino)cyclohexane-1-carboxylate (CID 79634921) is methyl 3-(3-ethylphenoxy)-1-(methylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 3-(3-ethylphenoxy)-1-(methylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 3-(3-ethylphenoxy)-1-(methylamino)cyclohexane-1-carboxylate is CCc1cccc(OC2CCCC(NC)(C(=O)OC)C2)c1.
What is the InChIKey of methyl 3-(3-ethylphenoxy)-1-(methylamino)cyclohexane-1-carboxylate?
The InChIKey is AZWDNIXKABEKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-13-7-5-8-14(11-13)21-15-9-6-10-17(12-15,18-2)16(19)20-3/h5,7-8,11,15,18H,4,6,9-10,12H2,1-3H3.
What are the key properties of methyl 3-(3-ethylphenoxy)-1-(methylamino)cyclohexane-1-carboxylate?
methyl 3-(3-ethylphenoxy)-1-(methylamino)cyclohexane-1-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-ethylphenoxy)-1-(methylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 79634921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).