2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethanamine

C17H27NO2 — CID 3132828

IUPAC2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethanamine
SMILESCCC1(C)CC(CCN)(c2ccc(OC)cc2)CCO1
InChIInChI=1S/C17H27NO2/c1-4-16(2)13-17(9-11-18,10-12-20-16)14-5-7-15(19-3)8-6-14/h5-8H,4,9-13,18H2,1-3H3
InChIKeyJSZSRSVBYOBTJA-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.26
Rot. Bonds5

About 2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethanamine

2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethanamine (PubChem CID 3132828) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethanamine
PubChem CID3132828
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethanamine
SMILESCCC1(C)CC(CCN)(c2ccc(OC)cc2)CCO1
InChIInChI=1S/C17H27NO2/c1-4-16(2)13-17(9-11-18,10-12-20-16)14-5-7-15(19-3)8-6-14/h5-8H,4,9-13,18H2,1-3H3
InChIKeyJSZSRSVBYOBTJA-UHFFFAOYSA-N
XLogP3.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethanamine?
The IUPAC name of 2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethanamine (CID 3132828) is 2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethanamine.
What is the SMILES notation for 2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethanamine?
The canonical SMILES for 2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethanamine is CCC1(C)CC(CCN)(c2ccc(OC)cc2)CCO1.
What is the InChIKey of 2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethanamine?
The InChIKey is JSZSRSVBYOBTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-16(2)13-17(9-11-18,10-12-20-16)14-5-7-15(19-3)8-6-14/h5-8H,4,9-13,18H2,1-3H3.
What are the key properties of 2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethanamine?
2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethanamine is sourced from PubChem (CID 3132828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).