3-(2-bromo-6-methoxyphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine

C16H24BrNO3 — CID 107943835

IUPAC3-(2-bromo-6-methoxyphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NCC)CC1Oc1c(Br)cccc1OC
InChIInChI=1S/C16H24BrNO3/c1-4-9-20-16-12(18-5-2)10-14(16)21-15-11(17)7-6-8-13(15)19-3/h6-8,12,14,16,18H,4-5,9-10H2,1-3H3
InChIKeyPGOSPBDMFHYYEE-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.38
Rot. Bonds8

About 3-(2-bromo-6-methoxyphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine

3-(2-bromo-6-methoxyphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine (PubChem CID 107943835) has the molecular formula C16H24BrNO3 and a molecular weight of 358.28 g/mol. Its IUPAC name is 3-(2-bromo-6-methoxyphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-6-methoxyphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine
PubChem CID107943835
Molecular FormulaC16H24BrNO3
Molecular Weight358.28 g/mol
Exact Mass357.09
IUPAC Name3-(2-bromo-6-methoxyphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NCC)CC1Oc1c(Br)cccc1OC
InChIInChI=1S/C16H24BrNO3/c1-4-9-20-16-12(18-5-2)10-14(16)21-15-11(17)7-6-8-13(15)19-3/h6-8,12,14,16,18H,4-5,9-10H2,1-3H3
InChIKeyPGOSPBDMFHYYEE-UHFFFAOYSA-N
XLogP3.38
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-6-methoxyphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine?
The IUPAC name of 3-(2-bromo-6-methoxyphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine (CID 107943835) is 3-(2-bromo-6-methoxyphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromo-6-methoxyphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine?
The canonical SMILES for 3-(2-bromo-6-methoxyphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine is CCCOC1C(NCC)CC1Oc1c(Br)cccc1OC.
What is the InChIKey of 3-(2-bromo-6-methoxyphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine?
The InChIKey is PGOSPBDMFHYYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO3/c1-4-9-20-16-12(18-5-2)10-14(16)21-15-11(17)7-6-8-13(15)19-3/h6-8,12,14,16,18H,4-5,9-10H2,1-3H3.
What are the key properties of 3-(2-bromo-6-methoxyphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine?
3-(2-bromo-6-methoxyphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine has a molecular weight of 358.28 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-6-methoxyphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine is sourced from PubChem (CID 107943835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).