1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine

C17H25NO2 — CID 103169721

IUPAC1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine
SMILESCCOC1CC(CC(N)c2cccc(OC3CC3)c2)C1
InChIInChI=1S/C17H25NO2/c1-2-19-16-8-12(9-16)10-17(18)13-4-3-5-15(11-13)20-14-6-7-14/h3-5,11-12,14,16-17H,2,6-10,18H2,1H3
InChIKeyNXLRMZFWVGBCGG-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.43
Rot. Bonds7

About 1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine

1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine (PubChem CID 103169721) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine
PubChem CID103169721
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine
SMILESCCOC1CC(CC(N)c2cccc(OC3CC3)c2)C1
InChIInChI=1S/C17H25NO2/c1-2-19-16-8-12(9-16)10-17(18)13-4-3-5-15(11-13)20-14-6-7-14/h3-5,11-12,14,16-17H,2,6-10,18H2,1H3
InChIKeyNXLRMZFWVGBCGG-UHFFFAOYSA-N
XLogP3.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 103169245
1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103170310
(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol
CID 129319999
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine
CID 114521659
1-(3-chloro-4-methylphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 107562011
2-(3-ethoxycyclobutyl)-1-(3-ethoxyphenyl)ethanol
CID 103170186
2-cyclopentyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 105051728
2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine
CID 105022380
2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 55295548
1-(3-cyclopropyloxyphenyl)-2-(oxolan-2-yl)ethanamine
CID 114521505
1-(3-cyclopropyloxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103547261
(1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine
CID 66517730

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine (CID 103169721) is 1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine is CCOC1CC(CC(N)c2cccc(OC3CC3)c2)C1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine?
The InChIKey is NXLRMZFWVGBCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-19-16-8-12(9-16)10-17(18)13-4-3-5-15(11-13)20-14-6-7-14/h3-5,11-12,14,16-17H,2,6-10,18H2,1H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine?
1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine has a molecular weight of 275.39 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine is sourced from PubChem (CID 103169721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).