(4-bromothiophen-3-yl)-(4-methoxyphenyl)methanamine

C12H12BrNOS — CID 79595197

IUPAC(4-bromothiophen-3-yl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cscc2Br)cc1
InChIInChI=1S/C12H12BrNOS/c1-15-9-4-2-8(3-5-9)12(14)10-6-16-7-11(10)13/h2-7,12H,14H2,1H3
InChIKeySIFIMPUCMGVJEA-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.57
Rot. Bonds3

About (4-bromothiophen-3-yl)-(4-methoxyphenyl)methanamine

(4-bromothiophen-3-yl)-(4-methoxyphenyl)methanamine (PubChem CID 79595197) has the molecular formula C12H12BrNOS and a molecular weight of 298.21 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(4-methoxyphenyl)methanamine
PubChem CID79595197
Molecular FormulaC12H12BrNOS
Molecular Weight298.21 g/mol
Exact Mass296.98
IUPAC Name(4-bromothiophen-3-yl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cscc2Br)cc1
InChIInChI=1S/C12H12BrNOS/c1-15-9-4-2-8(3-5-9)12(14)10-6-16-7-11(10)13/h2-7,12H,14H2,1H3
InChIKeySIFIMPUCMGVJEA-UHFFFAOYSA-N
XLogP3.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromothiophen-3-yl)-(4-methylphenyl)methanamine
CID 79594983
(4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 105056617
(4-bromothiophen-3-yl)-(5-methylthiophen-3-yl)methanamine
CID 130993276
(4-bromothiophen-3-yl)-(5-methylfuran-2-yl)methanamine
CID 105010579
(2-bromo-4-methoxyphenyl)-phenylmethanamine
CID 60785941
(4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine
CID 43805138
4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride
CID 69080735
(4-methoxyphenyl)-(2-methylphenyl)methanamine
CID 24688459
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
(4-bromothiophen-3-yl)-(2-methylsulfanylphenyl)methanamine
CID 105010938
3-bromo-4-(4-methoxyphenoxy)thiophene
CID 173291895
(4-bromothiophen-3-yl)-(6-methoxypyrimidin-4-yl)methanamine
CID 102950730

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(4-methoxyphenyl)methanamine?
The IUPAC name of (4-bromothiophen-3-yl)-(4-methoxyphenyl)methanamine (CID 79595197) is (4-bromothiophen-3-yl)-(4-methoxyphenyl)methanamine.
What is the SMILES notation for (4-bromothiophen-3-yl)-(4-methoxyphenyl)methanamine?
The canonical SMILES for (4-bromothiophen-3-yl)-(4-methoxyphenyl)methanamine is COc1ccc(C(N)c2cscc2Br)cc1.
What is the InChIKey of (4-bromothiophen-3-yl)-(4-methoxyphenyl)methanamine?
The InChIKey is SIFIMPUCMGVJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c1-15-9-4-2-8(3-5-9)12(14)10-6-16-7-11(10)13/h2-7,12H,14H2,1H3.
What are the key properties of (4-bromothiophen-3-yl)-(4-methoxyphenyl)methanamine?
(4-bromothiophen-3-yl)-(4-methoxyphenyl)methanamine has a molecular weight of 298.21 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 79595197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).