(5-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine

C15H14BrNOS — CID 54897874

IUPAC(5-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine
SMILESCc1ccc2oc(C(N)c3ccc(Br)s3)c(C)c2c1
InChIInChI=1S/C15H14BrNOS/c1-8-3-4-11-10(7-8)9(2)15(18-11)14(17)12-5-6-13(16)19-12/h3-7,14H,17H2,1-2H3
InChIKeyCVYSWMOIGMGXIU-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.92
Rot. Bonds2

About (5-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine

(5-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine (PubChem CID 54897874) has the molecular formula C15H14BrNOS and a molecular weight of 336.25 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine
PubChem CID54897874
Molecular FormulaC15H14BrNOS
Molecular Weight336.25 g/mol
Exact Mass335.00
IUPAC Name(5-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine
SMILESCc1ccc2oc(C(N)c3ccc(Br)s3)c(C)c2c1
InChIInChI=1S/C15H14BrNOS/c1-8-3-4-11-10(7-8)9(2)15(18-11)14(17)12-5-6-13(16)19-12/h3-7,14H,17H2,1-2H3
InChIKeyCVYSWMOIGMGXIU-UHFFFAOYSA-N
XLogP4.92
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(8-Fluorodibenzofuran-2-yl)-thiophen-3-ylmethanamine
CID 69796043
(8-Fluorodibenzofuran-2-yl)-thiophen-2-ylmethanamine
CID 69800944
(6-Fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanamine
CID 55147653
(5-Chlorothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
CID 55147847
(5-Bromothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
CID 55147848
(6-Fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine
CID 63067521
(6-Fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-3-ylmethanamine
CID 63068377
(5-Ethylthiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
CID 63068557
(6-Fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 63993045
(5-Fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 80057778
(5-Bromothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
CID 80058101
(5-Fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-3-ylmethanamine
CID 80058336

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine (CID 54897874) is (5-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine is Cc1ccc2oc(C(N)c3ccc(Br)s3)c(C)c2c1.
What is the InChIKey of (5-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine?
The InChIKey is CVYSWMOIGMGXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS/c1-8-3-4-11-10(7-8)9(2)15(18-11)14(17)12-5-6-13(16)19-12/h3-7,14H,17H2,1-2H3.
What are the key properties of (5-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine?
(5-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine has a molecular weight of 336.25 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 54897874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).