(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine

C14H15Br2NO2S — CID 79981793

IUPAC(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
SMILESCOc1cc(Br)c(C(N)c2cc(C)c(Br)s2)cc1OC
InChIInChI=1S/C14H15Br2NO2S/c1-7-4-12(20-14(7)16)13(17)8-5-10(18-2)11(19-3)6-9(8)15/h4-6,13H,17H2,1-3H3
InChIKeyYHNMLULJKGKFQY-UHFFFAOYSA-N
MW421.15 g/mol
LogP4.65
Rot. Bonds4

About (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine

(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine (PubChem CID 79981793) has the molecular formula C14H15Br2NO2S and a molecular weight of 421.15 g/mol. Its IUPAC name is (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
PubChem CID79981793
Molecular FormulaC14H15Br2NO2S
Molecular Weight421.15 g/mol
Exact Mass418.92
IUPAC Name(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
SMILESCOc1cc(Br)c(C(N)c2cc(C)c(Br)s2)cc1OC
InChIInChI=1S/C14H15Br2NO2S/c1-7-4-12(20-14(7)16)13(17)8-5-10(18-2)11(19-3)6-9(8)15/h4-6,13H,17H2,1-3H3
InChIKeyYHNMLULJKGKFQY-UHFFFAOYSA-N
XLogP4.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.15
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanamine
CID 79991105
(2-bromo-4-fluorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79991953
1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 105056785
(5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 79981203
(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 79996828
(5-bromo-4-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanamine
CID 79991416
(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 79981146
(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 115850913
(2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine
CID 114368828
(2-bromofuran-3-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 106851869
(2-bromo-4,5-dimethoxyphenyl)-(5-methylfuran-2-yl)methanamine
CID 43464484
2,3-dibromo-5-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]thiophene
CID 80538722

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine?
The IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine (CID 79981793) is (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine?
The canonical SMILES for (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine is COc1cc(Br)c(C(N)c2cc(C)c(Br)s2)cc1OC.
What is the InChIKey of (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine?
The InChIKey is YHNMLULJKGKFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NO2S/c1-7-4-12(20-14(7)16)13(17)8-5-10(18-2)11(19-3)6-9(8)15/h4-6,13H,17H2,1-3H3.
What are the key properties of (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine?
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine has a molecular weight of 421.15 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 79981793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).