2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanamine

C15H23NO2 — CID 80685196

IUPAC2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanamine
SMILESCOc1cccc(CC(N)C2(C)CCCCO2)c1
InChIInChI=1S/C15H23NO2/c1-15(8-3-4-9-18-15)14(16)11-12-6-5-7-13(10-12)17-2/h5-7,10,14H,3-4,8-9,11,16H2,1-2H3
InChIKeyXAJJOQMGIDOZED-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.52
Rot. Bonds4

About 2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanamine

2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanamine (PubChem CID 80685196) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanamine
PubChem CID80685196
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanamine
SMILESCOc1cccc(CC(N)C2(C)CCCCO2)c1
InChIInChI=1S/C15H23NO2/c1-15(8-3-4-9-18-15)14(16)11-12-6-5-7-13(10-12)17-2/h5-7,10,14H,3-4,8-9,11,16H2,1-2H3
InChIKeyXAJJOQMGIDOZED-UHFFFAOYSA-N
XLogP2.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-amino-2-(3-methoxyphenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066060
N-[2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 80684973
1-(2-methyloxan-2-yl)-2-pyridin-3-ylethanamine
CID 104736660
(2-methyloxan-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544912
1-(2-methyloxan-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 80683608
[2-(3-methoxyphenyl)-1-(1-methylcyclopentyl)ethyl]hydrazine
CID 105295319
1-(4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanamine
CID 65391804
1-(1-methoxy-4-methylcyclohexyl)-2-(3-methoxyphenyl)ethanamine
CID 116766322
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
[1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine
CID 80603141
4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanamine (CID 80685196) is 2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanamine is COc1cccc(CC(N)C2(C)CCCCO2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanamine?
The InChIKey is XAJJOQMGIDOZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(8-3-4-9-18-15)14(16)11-12-6-5-7-13(10-12)17-2/h5-7,10,14H,3-4,8-9,11,16H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanamine?
2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanamine is sourced from PubChem (CID 80685196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).