1-(5-bromofuran-2-yl)-1-(2-bromo-4-methoxyphenyl)-N-methylmethanamine

C13H13Br2NO2 — CID 60787977

IUPAC1-(5-bromofuran-2-yl)-1-(2-bromo-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)o1)c1ccc(OC)cc1Br
InChIInChI=1S/C13H13Br2NO2/c1-16-13(11-5-6-12(15)18-11)9-4-3-8(17-2)7-10(9)14/h3-7,13,16H,1-2H3
InChIKeyRPFTZRXXKRATQF-UHFFFAOYSA-N
MW375.06 g/mol
LogP4.12
Rot. Bonds4

About 1-(5-bromofuran-2-yl)-1-(2-bromo-4-methoxyphenyl)-N-methylmethanamine

1-(5-bromofuran-2-yl)-1-(2-bromo-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 60787977) has the molecular formula C13H13Br2NO2 and a molecular weight of 375.06 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-1-(2-bromo-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-1-(2-bromo-4-methoxyphenyl)-N-methylmethanamine
PubChem CID60787977
Molecular FormulaC13H13Br2NO2
Molecular Weight375.06 g/mol
Exact Mass372.93
IUPAC Name1-(5-bromofuran-2-yl)-1-(2-bromo-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)o1)c1ccc(OC)cc1Br
InChIInChI=1S/C13H13Br2NO2/c1-16-13(11-5-6-12(15)18-11)9-4-3-8(17-2)7-10(9)14/h3-7,13,16H,1-2H3
InChIKeyRPFTZRXXKRATQF-UHFFFAOYSA-N
XLogP4.12
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.06
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]furan
CID 63443265
1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(5-bromofuran-2-yl)-N-methylmethanamine
CID 103394584
N-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43490697
1-(5-bromofuran-2-yl)-1-(3-bromo-4-methoxyphenyl)-N-methylmethanamine
CID 43479896
2-bromo-5-[chloro-(2,4-dimethoxyphenyl)methyl]furan
CID 61086394
1-(2-bromo-4-methoxyphenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 60786122
1-(2,4-dibromophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 107945123
1-(2-bromo-4-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 60788480
N-[(5-bromofuran-2-yl)-(2,5-dimethoxyphenyl)methyl]propan-1-amine
CID 43495206
1-(2-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 62278586
(5-bromofuran-2-yl)-(2-chloro-4-methoxyphenyl)methanamine
CID 43561843
N-[(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methyl]ethanamine
CID 106684349

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-1-(2-bromo-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-1-(2-bromo-4-methoxyphenyl)-N-methylmethanamine (CID 60787977) is 1-(5-bromofuran-2-yl)-1-(2-bromo-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-1-(2-bromo-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-1-(2-bromo-4-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc(Br)o1)c1ccc(OC)cc1Br.
What is the InChIKey of 1-(5-bromofuran-2-yl)-1-(2-bromo-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is RPFTZRXXKRATQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NO2/c1-16-13(11-5-6-12(15)18-11)9-4-3-8(17-2)7-10(9)14/h3-7,13,16H,1-2H3.
What are the key properties of 1-(5-bromofuran-2-yl)-1-(2-bromo-4-methoxyphenyl)-N-methylmethanamine?
1-(5-bromofuran-2-yl)-1-(2-bromo-4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 375.06 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-1-(2-bromo-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 60787977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).