2-(2,5-dibromo-4-methoxyphenoxy)-2-(5-methylfuran-2-yl)ethanamine

C14H15Br2NO3 — CID 79415742

IUPAC2-(2,5-dibromo-4-methoxyphenoxy)-2-(5-methylfuran-2-yl)ethanamine
SMILESCOc1cc(Br)c(OC(CN)c2ccc(C)o2)cc1Br
InChIInChI=1S/C14H15Br2NO3/c1-8-3-4-11(19-8)14(7-17)20-13-6-9(15)12(18-2)5-10(13)16/h3-6,14H,7,17H2,1-2H3
InChIKeyHMQZWDYDYFRPRZ-UHFFFAOYSA-N
MW405.09 g/mol
LogP4.20
Rot. Bonds5

About 2-(2,5-dibromo-4-methoxyphenoxy)-2-(5-methylfuran-2-yl)ethanamine

2-(2,5-dibromo-4-methoxyphenoxy)-2-(5-methylfuran-2-yl)ethanamine (PubChem CID 79415742) has the molecular formula C14H15Br2NO3 and a molecular weight of 405.09 g/mol. Its IUPAC name is 2-(2,5-dibromo-4-methoxyphenoxy)-2-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dibromo-4-methoxyphenoxy)-2-(5-methylfuran-2-yl)ethanamine
PubChem CID79415742
Molecular FormulaC14H15Br2NO3
Molecular Weight405.09 g/mol
Exact Mass402.94
IUPAC Name2-(2,5-dibromo-4-methoxyphenoxy)-2-(5-methylfuran-2-yl)ethanamine
SMILESCOc1cc(Br)c(OC(CN)c2ccc(C)o2)cc1Br
InChIInChI=1S/C14H15Br2NO3/c1-8-3-4-11(19-8)14(7-17)20-13-6-9(15)12(18-2)5-10(13)16/h3-6,14H,7,17H2,1-2H3
InChIKeyHMQZWDYDYFRPRZ-UHFFFAOYSA-N
XLogP4.20
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.09
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-methylphenoxy)-2-(5-methylfuran-2-yl)ethanamine
CID 63216997
2-(2,5-difluorophenoxy)-2-(5-methylfuran-2-yl)ethanamine
CID 55168512
2-(2,5-dibromo-4-methoxyphenoxy)propan-1-amine
CID 79415829
(2-bromo-4,5-dimethoxyphenyl)-(5-methylfuran-2-yl)methanamine
CID 43464484
2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine
CID 15185771
3-bromo-4-methoxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 30964155
2-(2-bromo-4-methoxyphenoxy)-2-(3-methylthiophen-2-yl)ethanamine
CID 104706707
2-(2-bromo-4-methoxyphenoxy)-2-pyridin-4-ylethanamine
CID 104706773
3-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine
CID 79403989
2-(2-bromo-4-methoxyphenoxy)-2-(2-fluorophenyl)ethanamine
CID 104706806
2-(3-bromo-4-methoxyphenyl)-2-ethoxyethanamine
CID 66072986
2-[(5-bromo-2-methoxyphenyl)-chloromethyl]-5-methylfuran
CID 61082150

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromo-4-methoxyphenoxy)-2-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(2,5-dibromo-4-methoxyphenoxy)-2-(5-methylfuran-2-yl)ethanamine (CID 79415742) is 2-(2,5-dibromo-4-methoxyphenoxy)-2-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dibromo-4-methoxyphenoxy)-2-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(2,5-dibromo-4-methoxyphenoxy)-2-(5-methylfuran-2-yl)ethanamine is COc1cc(Br)c(OC(CN)c2ccc(C)o2)cc1Br.
What is the InChIKey of 2-(2,5-dibromo-4-methoxyphenoxy)-2-(5-methylfuran-2-yl)ethanamine?
The InChIKey is HMQZWDYDYFRPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NO3/c1-8-3-4-11(19-8)14(7-17)20-13-6-9(15)12(18-2)5-10(13)16/h3-6,14H,7,17H2,1-2H3.
What are the key properties of 2-(2,5-dibromo-4-methoxyphenoxy)-2-(5-methylfuran-2-yl)ethanamine?
2-(2,5-dibromo-4-methoxyphenoxy)-2-(5-methylfuran-2-yl)ethanamine has a molecular weight of 405.09 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dibromo-4-methoxyphenoxy)-2-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 79415742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).