2-(3-ethoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine

C17H27NO2 — CID 103169245

IUPAC2-(3-ethoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine
SMILESCCOC1CC(CC(N)c2cccc(OC(C)C)c2)C1
InChIInChI=1S/C17H27NO2/c1-4-19-16-8-13(9-16)10-17(18)14-6-5-7-15(11-14)20-12(2)3/h5-7,11-13,16-17H,4,8-10,18H2,1-3H3
InChIKeyCEWWAASVTHAWAO-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.68
Rot. Bonds7

About 2-(3-ethoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine

2-(3-ethoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine (PubChem CID 103169245) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine
PubChem CID103169245
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(3-ethoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine
SMILESCCOC1CC(CC(N)c2cccc(OC(C)C)c2)C1
InChIInChI=1S/C17H27NO2/c1-4-19-16-8-13(9-16)10-17(18)14-6-5-7-15(11-14)20-12(2)3/h5-7,11-13,16-17H,4,8-10,18H2,1-3H3
InChIKeyCEWWAASVTHAWAO-UHFFFAOYSA-N
XLogP3.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169721
1-(3-chloro-4-methylphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 107562011
2-(3-ethoxycyclobutyl)-1-(3-ethoxyphenyl)ethanol
CID 103170186
1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103170310
2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine
CID 105022380
1-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 79016250
2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 55295548
2-(3-ethoxycyclobutyl)-1-quinolin-6-ylethanamine
CID 103169273
2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 103163178
1-(3-propan-2-yloxyphenyl)-3-propoxypropan-1-amine
CID 105171328
[2-cyclopropyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105254134
[1-(3-chlorophenyl)-2-(3-ethoxycyclobutyl)ethyl]hydrazine
CID 103170410

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-(3-ethoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine (CID 103169245) is 2-(3-ethoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine is CCOC1CC(CC(N)c2cccc(OC(C)C)c2)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
The InChIKey is CEWWAASVTHAWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-19-16-8-13(9-16)10-17(18)14-6-5-7-15(11-14)20-12(2)3/h5-7,11-13,16-17H,4,8-10,18H2,1-3H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
2-(3-ethoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 103169245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).