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

C14H16BrNO2S — CID 65279816

IUPAC(3-bromo-5-methylthiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2sc(C)cc2Br)c(OC)c1
InChIInChI=1S/C14H16BrNO2S/c1-8-6-11(15)14(19-8)13(16)10-5-4-9(17-2)7-12(10)18-3/h4-7,13H,16H2,1-3H3
InChIKeyCUBMSPDCSJHMGH-UHFFFAOYSA-N
MW342.26 g/mol
LogP3.88
Rot. Bonds4

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

(3-bromo-5-methylthiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine (PubChem CID 65279816) has the molecular formula C14H16BrNO2S and a molecular weight of 342.26 g/mol. Its IUPAC name is (3-bromo-5-methylthiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-methylthiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
PubChem CID65279816
Molecular FormulaC14H16BrNO2S
Molecular Weight342.26 g/mol
Exact Mass341.01
IUPAC Name(3-bromo-5-methylthiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2sc(C)cc2Br)c(OC)c1
InChIInChI=1S/C14H16BrNO2S/c1-8-6-11(15)14(19-8)13(16)10-5-4-9(17-2)7-12(10)18-3/h4-7,13H,16H2,1-3H3
InChIKeyCUBMSPDCSJHMGH-UHFFFAOYSA-N
XLogP3.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethoxyphenyl)-(3,5-dimethylthiophen-2-yl)methanamine
CID 81156141
(3-bromo-5-methylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine
CID 65279071
(3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 55240103
3-bromo-2-[chloro-(2,5-dimethoxyphenyl)methyl]-5-methylthiophene
CID 65278453
(2,4-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 105145174
(3-bromo-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43131080
(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 43198782
(2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197258
(3-chlorothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 80529748
1-(2,4-dimethoxyphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81156413
(2,4-dimethoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 43197259
(3-bromo-5-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 65279118

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine?
The IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine (CID 65279816) is (3-bromo-5-methylthiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for (3-bromo-5-methylthiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine?
The canonical SMILES for (3-bromo-5-methylthiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine is COc1ccc(C(N)c2sc(C)cc2Br)c(OC)c1.
What is the InChIKey of (3-bromo-5-methylthiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine?
The InChIKey is CUBMSPDCSJHMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2S/c1-8-6-11(15)14(19-8)13(16)10-5-4-9(17-2)7-12(10)18-3/h4-7,13H,16H2,1-3H3.
What are the key properties of (3-bromo-5-methylthiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine?
(3-bromo-5-methylthiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine has a molecular weight of 342.26 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylthiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 65279816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).