N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine

C16H15ClFNOS — CID 105045996

IUPACN-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2cc(F)ccc2o1)c1ccc(Cl)s1
InChIInChI=1S/C16H15ClFNOS/c1-2-7-19-16(14-5-6-15(17)21-14)13-9-10-8-11(18)3-4-12(10)20-13/h3-6,8-9,16,19H,2,7H2,1H3
InChIKeySQMJGKSMMGIPGH-UHFFFAOYSA-N
MW323.82 g/mol
LogP5.38
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine

N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine (PubChem CID 105045996) has the molecular formula C16H15ClFNOS and a molecular weight of 323.82 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
PubChem CID105045996
Molecular FormulaC16H15ClFNOS
Molecular Weight323.82 g/mol
Exact Mass323.05
IUPAC NameN-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2cc(F)ccc2o1)c1ccc(Cl)s1
InChIInChI=1S/C16H15ClFNOS/c1-2-7-19-16(14-5-6-15(17)21-14)13-9-10-8-11(18)3-4-12(10)20-13/h3-6,8-9,16,19H,2,7H2,1H3
InChIKeySQMJGKSMMGIPGH-UHFFFAOYSA-N
XLogP5.38
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.82
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-chlorothiophen-2-yl)-(5-fluoro-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-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 105046083
N-[(5-fluoro-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105046113
N-[(5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 114728748
N-[(2-bromo-5-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 43497043
N-[(5-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methyl]propan-1-amine
CID 114728407
N-[(5-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114729086
N-[(5-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine
CID 105185786
N-[(7-bromo-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 105173567
N-[(5-chlorothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105173343
1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728136
1-(5-fluoro-1-benzofuran-2-yl)-N-propylbut-3-en-1-amine
CID 114731017
N-[(5-chlorothiophen-2-yl)-(5-nitrofuran-2-yl)methyl]propan-1-amine
CID 43496935

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine (CID 105045996) is N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine is CCCNC(c1cc2cc(F)ccc2o1)c1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine?
The InChIKey is SQMJGKSMMGIPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNOS/c1-2-7-19-16(14-5-6-15(17)21-14)13-9-10-8-11(18)3-4-12(10)20-13/h3-6,8-9,16,19H,2,7H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine?
N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine has a molecular weight of 323.82 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105045996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).