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

C14H23NO2 — CID 116726216

IUPAC3-ethoxy-1-(3-methoxyphenyl)-3-methylbutan-2-amine
SMILESCCOC(C)(C)C(N)Cc1cccc(OC)c1
InChIInChI=1S/C14H23NO2/c1-5-17-14(2,3)13(15)10-11-7-6-8-12(9-11)16-4/h6-9,13H,5,10,15H2,1-4H3
InChIKeyXSPYMOOHPJQCQT-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.38
Rot. Bonds6

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

3-ethoxy-1-(3-methoxyphenyl)-3-methylbutan-2-amine (PubChem CID 116726216) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-ethoxy-1-(3-methoxyphenyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-(3-methoxyphenyl)-3-methylbutan-2-amine
PubChem CID116726216
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-ethoxy-1-(3-methoxyphenyl)-3-methylbutan-2-amine
SMILESCCOC(C)(C)C(N)Cc1cccc(OC)c1
InChIInChI=1S/C14H23NO2/c1-5-17-14(2,3)13(15)10-11-7-6-8-12(9-11)16-4/h6-9,13H,5,10,15H2,1-4H3
InChIKeyXSPYMOOHPJQCQT-UHFFFAOYSA-N
XLogP2.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-3-ethoxy-3-methylbutan-2-amine
CID 116726195
ethyl 3-amino-4-(3-methoxyphenyl)-2,2-dimethylbutanoate
CID 10934376
1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105133732
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549
3-ethoxy-1-(3-methoxyphenyl)butan-2-amine
CID 64541774
4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099
3-ethyl-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine
CID 79057103
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
2-(3-methoxyphenyl)-1-pyrimidin-2-ylethanamine
CID 62600114
3-fluoro-4-(3-methoxyphenyl)butan-2-amine
CID 105450748

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(3-methoxyphenyl)-3-methylbutan-2-amine?
The IUPAC name of 3-ethoxy-1-(3-methoxyphenyl)-3-methylbutan-2-amine (CID 116726216) is 3-ethoxy-1-(3-methoxyphenyl)-3-methylbutan-2-amine.
What is the SMILES notation for 3-ethoxy-1-(3-methoxyphenyl)-3-methylbutan-2-amine?
The canonical SMILES for 3-ethoxy-1-(3-methoxyphenyl)-3-methylbutan-2-amine is CCOC(C)(C)C(N)Cc1cccc(OC)c1.
What is the InChIKey of 3-ethoxy-1-(3-methoxyphenyl)-3-methylbutan-2-amine?
The InChIKey is XSPYMOOHPJQCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-17-14(2,3)13(15)10-11-7-6-8-12(9-11)16-4/h6-9,13H,5,10,15H2,1-4H3.
What are the key properties of 3-ethoxy-1-(3-methoxyphenyl)-3-methylbutan-2-amine?
3-ethoxy-1-(3-methoxyphenyl)-3-methylbutan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(3-methoxyphenyl)-3-methylbutan-2-amine is sourced from PubChem (CID 116726216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).