2-ethoxy-1-(3-methoxyphenyl)-N-methylbutan-1-amine

C14H23NO2 — CID 116716598

IUPAC2-ethoxy-1-(3-methoxyphenyl)-N-methylbutan-1-amine
SMILESCCOC(CC)C(NC)c1cccc(OC)c1
InChIInChI=1S/C14H23NO2/c1-5-13(17-6-2)14(15-3)11-8-7-9-12(10-11)16-4/h7-10,13-15H,5-6H2,1-4H3
InChIKeyLCNJUQDOSJZSMY-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.77
Rot. Bonds7

About 2-ethoxy-1-(3-methoxyphenyl)-N-methylbutan-1-amine

2-ethoxy-1-(3-methoxyphenyl)-N-methylbutan-1-amine (PubChem CID 116716598) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-ethoxy-1-(3-methoxyphenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(3-methoxyphenyl)-N-methylbutan-1-amine
PubChem CID116716598
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-ethoxy-1-(3-methoxyphenyl)-N-methylbutan-1-amine
SMILESCCOC(CC)C(NC)c1cccc(OC)c1
InChIInChI=1S/C14H23NO2/c1-5-13(17-6-2)14(15-3)11-8-7-9-12(10-11)16-4/h7-10,13-15H,5-6H2,1-4H3
InChIKeyLCNJUQDOSJZSMY-UHFFFAOYSA-N
XLogP2.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-ethoxy-N-methylbutan-1-amine
CID 116716616
2-methoxy-N-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 116715521
1-(3-methoxyphenyl)-1-(methylamino)propan-2-ol
CID 116859509
1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-methylpentan-1-amine
CID 114522243
2-methoxy-1-(3-methoxyphenyl)-N,3-dimethylbutan-1-amine
CID 116719987
1-(3-chlorophenyl)-2-methoxy-N-methylbutan-1-amine
CID 116715506
2,2-diethoxy-1-(3-methoxyphenyl)ethanamine
CID 79495192
2-ethoxy-2-(3-methoxyphenyl)acetaldehyde
CID 129199810
1-(2,4-dimethoxyphenyl)-2-ethoxy-N-ethylbutan-1-amine
CID 116717031
1-(3-ethoxyphenyl)-2-methoxy-N-methyl-2-phenylethanamine
CID 116772649
2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine
CID 116717137
2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 116716969

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-methoxyphenyl)-N-methylbutan-1-amine?
The IUPAC name of 2-ethoxy-1-(3-methoxyphenyl)-N-methylbutan-1-amine (CID 116716598) is 2-ethoxy-1-(3-methoxyphenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(3-methoxyphenyl)-N-methylbutan-1-amine?
The canonical SMILES for 2-ethoxy-1-(3-methoxyphenyl)-N-methylbutan-1-amine is CCOC(CC)C(NC)c1cccc(OC)c1.
What is the InChIKey of 2-ethoxy-1-(3-methoxyphenyl)-N-methylbutan-1-amine?
The InChIKey is LCNJUQDOSJZSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-13(17-6-2)14(15-3)11-8-7-9-12(10-11)16-4/h7-10,13-15H,5-6H2,1-4H3.
What are the key properties of 2-ethoxy-1-(3-methoxyphenyl)-N-methylbutan-1-amine?
2-ethoxy-1-(3-methoxyphenyl)-N-methylbutan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(3-methoxyphenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 116716598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).