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

C15H17Br2NO2S — CID 105056785

IUPAC1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(Br)s1)c1cc(OC)c(Br)cc1OC
InChIInChI=1S/C15H17Br2NO2S/c1-8-5-13(21-15(8)17)14(18-2)9-6-12(20-4)10(16)7-11(9)19-3/h5-7,14,18H,1-4H3
InChIKeyOKRVOILRPKMRNC-UHFFFAOYSA-N
MW435.18 g/mol
LogP4.91
Rot. Bonds5

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

1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine (PubChem CID 105056785) has the molecular formula C15H17Br2NO2S and a molecular weight of 435.18 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
PubChem CID105056785
Molecular FormulaC15H17Br2NO2S
Molecular Weight435.18 g/mol
Exact Mass432.93
IUPAC Name1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(Br)s1)c1cc(OC)c(Br)cc1OC
InChIInChI=1S/C15H17Br2NO2S/c1-8-5-13(21-15(8)17)14(18-2)9-6-12(20-4)10(16)7-11(9)19-3/h5-7,14,18H,1-4H3
InChIKeyOKRVOILRPKMRNC-UHFFFAOYSA-N
XLogP4.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.18
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-5-iodophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 114027607
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79981793
1-(5-bromo-2-methoxyphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 65237360
1-(3-bromo-4-ethoxyphenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 104657467
1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 79981581
1-(4-bromo-5-methylthiophen-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 102827361
1-(3-bromo-5-methylthiophen-2-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 79981226
1-(5-bromo-4-methylthiophen-2-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine
CID 114027955
1-(4-bromo-5-methylthiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 102827334
1-(5-bromo-4-methylthiophen-2-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477863
1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 79981647
1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 80531246

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine (CID 105056785) is 1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine is CNC(c1cc(C)c(Br)s1)c1cc(OC)c(Br)cc1OC.
What is the InChIKey of 1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is OKRVOILRPKMRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2NO2S/c1-8-5-13(21-15(8)17)14(18-2)9-6-12(20-4)10(16)7-11(9)19-3/h5-7,14,18H,1-4H3.
What are the key properties of 1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine?
1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 435.18 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105056785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).