(5-bromothiophen-2-yl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine

C14H11BrClNOS — CID 62072900

IUPAC(5-bromothiophen-2-yl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1c(C(N)c2ccc(Br)s2)oc2ccc(Cl)cc12
InChIInChI=1S/C14H11BrClNOS/c1-7-9-6-8(16)2-3-10(9)18-14(7)13(17)11-4-5-12(15)19-11/h2-6,13H,17H2,1H3
InChIKeyAWKXDNXSHBPJBW-UHFFFAOYSA-N
MW356.67 g/mol
LogP5.27
Rot. Bonds2

About (5-bromothiophen-2-yl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine

(5-bromothiophen-2-yl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 62072900) has the molecular formula C14H11BrClNOS and a molecular weight of 356.67 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine
PubChem CID62072900
Molecular FormulaC14H11BrClNOS
Molecular Weight356.67 g/mol
Exact Mass354.94
IUPAC Name(5-bromothiophen-2-yl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1c(C(N)c2ccc(Br)s2)oc2ccc(Cl)cc12
InChIInChI=1S/C14H11BrClNOS/c1-7-9-6-8(16)2-3-10(9)18-14(7)13(17)11-4-5-12(15)19-11/h2-6,13H,17H2,1H3
InChIKeyAWKXDNXSHBPJBW-UHFFFAOYSA-N
XLogP5.27
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-bromothiophen-2-yl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine
CID 54897874
(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 62073231
(3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine
CID 63549669
(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine
CID 62073399
4-[amino-(5-chloro-3-methyl-1-benzofuran-2-yl)methyl]benzonitrile
CID 62072398
(2-bromo-4-chlorophenyl)-(5-bromothiophen-2-yl)methanamine
CID 107987471
(5-chloro-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanamine
CID 63549324
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine
CID 102949457
(5-bromothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine
CID 106684358
(3-bromo-5-chlorophenyl)-(5-bromothiophen-2-yl)methanamine
CID 107950502
(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-chlorophenyl)methanol
CID 3088260
(5-bromothiophen-2-yl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine
CID 79169758

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-bromothiophen-2-yl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine (CID 62072900) is (5-bromothiophen-2-yl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine is Cc1c(C(N)c2ccc(Br)s2)oc2ccc(Cl)cc12.
What is the InChIKey of (5-bromothiophen-2-yl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is AWKXDNXSHBPJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNOS/c1-7-9-6-8(16)2-3-10(9)18-14(7)13(17)11-4-5-12(15)19-11/h2-6,13H,17H2,1H3.
What are the key properties of (5-bromothiophen-2-yl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine?
(5-bromothiophen-2-yl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 356.67 g/mol, XLogP of 5.27, 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)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 62072900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).