1-(2-bromo-4,5-dimethoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine

C14H15Br2NO3 — CID 106851573

IUPAC1-(2-bromo-4,5-dimethoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
SMILESCNC(c1cc(OC)c(OC)cc1Br)c1ccoc1Br
InChIInChI=1S/C14H15Br2NO3/c1-17-13(8-4-5-20-14(8)16)9-6-11(18-2)12(19-3)7-10(9)15/h4-7,13,17H,1-3H3
InChIKeyDUOVRLXOCWCUHH-UHFFFAOYSA-N
MW405.09 g/mol
LogP4.13
Rot. Bonds5

About 1-(2-bromo-4,5-dimethoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine

1-(2-bromo-4,5-dimethoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine (PubChem CID 106851573) has the molecular formula C14H15Br2NO3 and a molecular weight of 405.09 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
PubChem CID106851573
Molecular FormulaC14H15Br2NO3
Molecular Weight405.09 g/mol
Exact Mass402.94
IUPAC Name1-(2-bromo-4,5-dimethoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
SMILESCNC(c1cc(OC)c(OC)cc1Br)c1ccoc1Br
InChIInChI=1S/C14H15Br2NO3/c1-17-13(8-4-5-20-14(8)16)9-6-11(18-2)12(19-3)7-10(9)15/h4-7,13,17H,1-3H3
InChIKeyDUOVRLXOCWCUHH-UHFFFAOYSA-N
XLogP4.13
TPSA43.63 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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromofuran-3-yl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 106851843
1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
CID 106852003
1-(2-bromofuran-3-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 106851550
1-(2-bromo-4,5-dimethoxyphenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 43485032
3-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylfuran
CID 61096737
1-(2-bromofuran-3-yl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine
CID 106851575
1-(2-bromofuran-3-yl)-1-(5-bromo-2-methylthiophen-3-yl)-N-methylmethanamine
CID 106851847
1-(2-bromofuran-3-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 106858742
(2-bromo-4,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol
CID 61088712
1-(3-bromo-2-fluorophenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
CID 106858995
1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 43485047
1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43485031

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine (CID 106851573) is 1-(2-bromo-4,5-dimethoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-4,5-dimethoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-4,5-dimethoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine is CNC(c1cc(OC)c(OC)cc1Br)c1ccoc1Br.
What is the InChIKey of 1-(2-bromo-4,5-dimethoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine?
The InChIKey is DUOVRLXOCWCUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NO3/c1-17-13(8-4-5-20-14(8)16)9-6-11(18-2)12(19-3)7-10(9)15/h4-7,13,17H,1-3H3.
What are the key properties of 1-(2-bromo-4,5-dimethoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine?
1-(2-bromo-4,5-dimethoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine has a molecular weight of 405.09 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-dimethoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine is sourced from PubChem (CID 106851573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).