(3-bromo-5-methylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine

C15H18BrNO3S — CID 65279071

IUPAC(3-bromo-5-methylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(C(N)c2sc(C)cc2Br)cc1OC
InChIInChI=1S/C15H18BrNO3S/c1-8-5-10(16)15(21-8)14(17)9-6-12(19-3)13(20-4)7-11(9)18-2/h5-7,14H,17H2,1-4H3
InChIKeyRLSNPRLFRMGBSN-UHFFFAOYSA-N
MW372.28 g/mol
LogP3.89
Rot. Bonds5

About (3-bromo-5-methylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine

(3-bromo-5-methylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine (PubChem CID 65279071) has the molecular formula C15H18BrNO3S and a molecular weight of 372.28 g/mol. Its IUPAC name is (3-bromo-5-methylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-methylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine
PubChem CID65279071
Molecular FormulaC15H18BrNO3S
Molecular Weight372.28 g/mol
Exact Mass371.02
IUPAC Name(3-bromo-5-methylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(C(N)c2sc(C)cc2Br)cc1OC
InChIInChI=1S/C15H18BrNO3S/c1-8-5-10(16)15(21-8)14(17)9-6-12(19-3)13(20-4)7-11(9)18-2/h5-7,14H,17H2,1-4H3
InChIKeyRLSNPRLFRMGBSN-UHFFFAOYSA-N
XLogP3.89
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-bromo-5-methylthiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 65279816
(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine
CID 61104551
(3-bromo-5-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 65279118
(3-bromo-5-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanamine
CID 65279444
3-bromo-2-[chloro-(2,5-dimethoxyphenyl)methyl]-5-methylthiophene
CID 65278453
(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 65279068
(3-bromo-5-methylthiophen-2-yl)-(5-chloro-2-methylphenyl)methanamine
CID 82884050
(3-bromo-5-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 65279660
(2,4-dimethoxyphenyl)-(3,5-dimethylthiophen-2-yl)methanamine
CID 81156141
(3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine
CID 107096553
3-bromo-2-[chloro-(3,4-dimethoxyphenyl)methyl]-5-methylthiophene
CID 65278187
(3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine
CID 65279390

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine?
The IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine (CID 65279071) is (3-bromo-5-methylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine.
What is the SMILES notation for (3-bromo-5-methylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine?
The canonical SMILES for (3-bromo-5-methylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine is COc1cc(OC)c(C(N)c2sc(C)cc2Br)cc1OC.
What is the InChIKey of (3-bromo-5-methylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine?
The InChIKey is RLSNPRLFRMGBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO3S/c1-8-5-10(16)15(21-8)14(17)9-6-12(19-3)13(20-4)7-11(9)18-2/h5-7,14H,17H2,1-4H3.
What are the key properties of (3-bromo-5-methylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine?
(3-bromo-5-methylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine has a molecular weight of 372.28 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine is sourced from PubChem (CID 65279071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).