N-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine

C17H18BrNOS — CID 105045202

IUPACN-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2cc(C)ccc2o1)c1sccc1Br
InChIInChI=1S/C17H18BrNOS/c1-3-7-19-16(17-13(18)6-8-21-17)15-10-12-9-11(2)4-5-14(12)20-15/h4-6,8-10,16,19H,3,7H2,1-2H3
InChIKeyXBFDKPCRPKCQSM-UHFFFAOYSA-N
MW364.31 g/mol
LogP5.65
Rot. Bonds5

About N-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine

N-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine (PubChem CID 105045202) has the molecular formula C17H18BrNOS and a molecular weight of 364.31 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
PubChem CID105045202
Molecular FormulaC17H18BrNOS
Molecular Weight364.31 g/mol
Exact Mass363.03
IUPAC NameN-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2cc(C)ccc2o1)c1sccc1Br
InChIInChI=1S/C17H18BrNOS/c1-3-7-19-16(17-13(18)6-8-21-17)15-10-12-9-11(2)4-5-14(12)20-15/h4-6,8-10,16,19H,3,7H2,1-2H3
InChIKeyXBFDKPCRPKCQSM-UHFFFAOYSA-N
XLogP5.65
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.31
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine 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

N-[(3-bromothiophen-2-yl)-(5-chloro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045794
N-[(5-bromofuran-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045147
N-[(5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine
CID 114730213
N-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine
CID 114727860
N-[(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105047452
N-[(5-methyl-1-benzofuran-2-yl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 114730144
[(3-ethylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105338244
N-[(3-bromo-5-methylphenyl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 104851374
N-[(3-bromothiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine
CID 63797565
N-[(5-methyl-1-benzofuran-2-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102841419
N-[1-benzofuran-2-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 105044087
2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 105045138

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine (CID 105045202) is N-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine is CCCNC(c1cc2cc(C)ccc2o1)c1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine?
The InChIKey is XBFDKPCRPKCQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNOS/c1-3-7-19-16(17-13(18)6-8-21-17)15-10-12-9-11(2)4-5-14(12)20-15/h4-6,8-10,16,19H,3,7H2,1-2H3.
What are the key properties of N-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine?
N-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine has a molecular weight of 364.31 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105045202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).