2-[4-(3,3-dimethylbutoxy)-3-ethoxyphenyl]ethanamine

C16H27NO2 — CID 61481236

IUPAC2-[4-(3,3-dimethylbutoxy)-3-ethoxyphenyl]ethanamine
SMILESCCOc1cc(CCN)ccc1OCCC(C)(C)C
InChIInChI=1S/C16H27NO2/c1-5-18-15-12-13(8-10-17)6-7-14(15)19-11-9-16(2,3)4/h6-7,12H,5,8-11,17H2,1-4H3
InChIKeyXUYVHBQIQZOJDW-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.40
Rot. Bonds7

About 2-[4-(3,3-dimethylbutoxy)-3-ethoxyphenyl]ethanamine

2-[4-(3,3-dimethylbutoxy)-3-ethoxyphenyl]ethanamine (PubChem CID 61481236) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[4-(3,3-dimethylbutoxy)-3-ethoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3,3-dimethylbutoxy)-3-ethoxyphenyl]ethanamine
PubChem CID61481236
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[4-(3,3-dimethylbutoxy)-3-ethoxyphenyl]ethanamine
SMILESCCOc1cc(CCN)ccc1OCCC(C)(C)C
InChIInChI=1S/C16H27NO2/c1-5-18-15-12-13(8-10-17)6-7-14(15)19-11-9-16(2,3)4/h6-7,12H,5,8-11,17H2,1-4H3
InChIKeyXUYVHBQIQZOJDW-UHFFFAOYSA-N
XLogP3.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine
CID 54958248
2-(4-butoxy-3-ethoxyphenyl)ethanamine
CID 20982697
2-[3-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]ethanamine
CID 22680716
2-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
CID 20993016
2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]ethanamine
CID 22681578
2-(4-but-2-ynoxy-3-ethoxyphenyl)ethanamine
CID 62311006
4-(2-aminoethyl)-2-ethoxyaniline
CID 91191224
4-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylbutanenitrile
CID 65252741
4-(3,4-dipropoxyphenyl)-2,2-dimethylbutan-1-amine
CID 65301015
1,2-diethoxy-4-propylbenzene
CID 3995471
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methylacetamide
CID 54931035
2-(4-methoxy-3-pentoxyphenyl)ethanamine
CID 11096640

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-dimethylbutoxy)-3-ethoxyphenyl]ethanamine?
The IUPAC name of 2-[4-(3,3-dimethylbutoxy)-3-ethoxyphenyl]ethanamine (CID 61481236) is 2-[4-(3,3-dimethylbutoxy)-3-ethoxyphenyl]ethanamine.
What is the SMILES notation for 2-[4-(3,3-dimethylbutoxy)-3-ethoxyphenyl]ethanamine?
The canonical SMILES for 2-[4-(3,3-dimethylbutoxy)-3-ethoxyphenyl]ethanamine is CCOc1cc(CCN)ccc1OCCC(C)(C)C.
What is the InChIKey of 2-[4-(3,3-dimethylbutoxy)-3-ethoxyphenyl]ethanamine?
The InChIKey is XUYVHBQIQZOJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-18-15-12-13(8-10-17)6-7-14(15)19-11-9-16(2,3)4/h6-7,12H,5,8-11,17H2,1-4H3.
What are the key properties of 2-[4-(3,3-dimethylbutoxy)-3-ethoxyphenyl]ethanamine?
2-[4-(3,3-dimethylbutoxy)-3-ethoxyphenyl]ethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-dimethylbutoxy)-3-ethoxyphenyl]ethanamine is sourced from PubChem (CID 61481236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).