1-(3-ethoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine

C15H23NO2 — CID 113362131

IUPAC1-(3-ethoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
SMILESCCOc1cccc(C(CC2CCOC2)NC)c1
InChIInChI=1S/C15H23NO2/c1-3-18-14-6-4-5-13(10-14)15(16-2)9-12-7-8-17-11-12/h4-6,10,12,15-16H,3,7-9,11H2,1-2H3
InChIKeyRRAILWVBUVBSMC-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.77
Rot. Bonds6

About 1-(3-ethoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine

1-(3-ethoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine (PubChem CID 113362131) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
PubChem CID113362131
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(3-ethoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
SMILESCCOc1cccc(C(CC2CCOC2)NC)c1
InChIInChI=1S/C15H23NO2/c1-3-18-14-6-4-5-13(10-14)15(16-2)9-12-7-8-17-11-12/h4-6,10,12,15-16H,3,7-9,11H2,1-2H3
InChIKeyRRAILWVBUVBSMC-UHFFFAOYSA-N
XLogP2.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)-2-(oxolan-3-yl)ethanamine
CID 103986722
1-(3-cyclobutylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 114604522
N-methyl-2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 103986937
1-(3-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 63935050
N-methyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
CID 103986918
2-(3-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62583804
N-ethyl-1-naphthalen-2-yl-2-(oxolan-3-yl)ethanamine
CID 103987345
N-methyl-1-(oxolan-3-yl)-1-(3-propoxyphenyl)methanamine
CID 115856531
1-(furan-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987114
N-ethyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
CID 103987178
N-[2-(oxolan-3-yl)-1-(3-propylphenyl)ethyl]propan-1-amine
CID 116545062
2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115863611

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine (CID 113362131) is 1-(3-ethoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine is CCOc1cccc(C(CC2CCOC2)NC)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine?
The InChIKey is RRAILWVBUVBSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-18-14-6-4-5-13(10-14)15(16-2)9-12-7-8-17-11-12/h4-6,10,12,15-16H,3,7-9,11H2,1-2H3.
What are the key properties of 1-(3-ethoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine?
1-(3-ethoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 113362131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).