3-(2-bromo-4-methoxyphenoxy)-2-propoxycyclobutan-1-amine

C14H20BrNO3 — CID 107943855

IUPAC3-(2-bromo-4-methoxyphenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(N)CC1Oc1ccc(OC)cc1Br
InChIInChI=1S/C14H20BrNO3/c1-3-6-18-14-11(16)8-13(14)19-12-5-4-9(17-2)7-10(12)15/h4-5,7,11,13-14H,3,6,8,16H2,1-2H3
InChIKeyUJTXWWRJTFYUBS-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.73
Rot. Bonds6

About 3-(2-bromo-4-methoxyphenoxy)-2-propoxycyclobutan-1-amine

3-(2-bromo-4-methoxyphenoxy)-2-propoxycyclobutan-1-amine (PubChem CID 107943855) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 3-(2-bromo-4-methoxyphenoxy)-2-propoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-4-methoxyphenoxy)-2-propoxycyclobutan-1-amine
PubChem CID107943855
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name3-(2-bromo-4-methoxyphenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(N)CC1Oc1ccc(OC)cc1Br
InChIInChI=1S/C14H20BrNO3/c1-3-6-18-14-11(16)8-13(14)19-12-5-4-9(17-2)7-10(12)15/h4-5,7,11,13-14H,3,6,8,16H2,1-2H3
InChIKeyUJTXWWRJTFYUBS-UHFFFAOYSA-N
XLogP2.73
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-methoxyphenoxy)-2-propoxycyclobutan-1-amine?
The IUPAC name of 3-(2-bromo-4-methoxyphenoxy)-2-propoxycyclobutan-1-amine (CID 107943855) is 3-(2-bromo-4-methoxyphenoxy)-2-propoxycyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromo-4-methoxyphenoxy)-2-propoxycyclobutan-1-amine?
The canonical SMILES for 3-(2-bromo-4-methoxyphenoxy)-2-propoxycyclobutan-1-amine is CCCOC1C(N)CC1Oc1ccc(OC)cc1Br.
What is the InChIKey of 3-(2-bromo-4-methoxyphenoxy)-2-propoxycyclobutan-1-amine?
The InChIKey is UJTXWWRJTFYUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-3-6-18-14-11(16)8-13(14)19-12-5-4-9(17-2)7-10(12)15/h4-5,7,11,13-14H,3,6,8,16H2,1-2H3.
What are the key properties of 3-(2-bromo-4-methoxyphenoxy)-2-propoxycyclobutan-1-amine?
3-(2-bromo-4-methoxyphenoxy)-2-propoxycyclobutan-1-amine has a molecular weight of 330.22 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-methoxyphenoxy)-2-propoxycyclobutan-1-amine is sourced from PubChem (CID 107943855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).