N-[(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine

C16H15BrFNOS — CID 105047452

IUPACN-[(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2cccc(F)c2o1)c1sccc1Br
InChIInChI=1S/C16H15BrFNOS/c1-2-7-19-14(16-11(17)6-8-21-16)13-9-10-4-3-5-12(18)15(10)20-13/h3-6,8-9,14,19H,2,7H2,1H3
InChIKeyBIAFGOMVAFABHC-UHFFFAOYSA-N
MW368.27 g/mol
LogP5.48
Rot. Bonds5

About N-[(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine

N-[(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine (PubChem CID 105047452) has the molecular formula C16H15BrFNOS and a molecular weight of 368.27 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
PubChem CID105047452
Molecular FormulaC16H15BrFNOS
Molecular Weight368.27 g/mol
Exact Mass367.00
IUPAC NameN-[(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2cccc(F)c2o1)c1sccc1Br
InChIInChI=1S/C16H15BrFNOS/c1-2-7-19-14(16-11(17)6-8-21-16)13-9-10-4-3-5-12(18)15(10)20-13/h3-6,8-9,14,19H,2,7H2,1H3
InChIKeyBIAFGOMVAFABHC-UHFFFAOYSA-N
XLogP5.48
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.27
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(7-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 105045492
N-[(3-bromothiophen-2-yl)-(5-chloro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045794
1-(3-ethylthiophen-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105047457
N-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045202
N-[(7-fluoro-1-benzofuran-2-yl)-(furan-3-yl)methyl]propan-1-amine
CID 114728711
N-[(3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 106647972
N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923898
N-[(7-fluoro-1-benzofuran-2-yl)-(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105186506
1-(7-fluoro-1-benzofuran-2-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105047391
N-[(3-bromothiophen-2-yl)-(4-fluoro-3,5-dimethylphenyl)methyl]propan-1-amine
CID 65297026
1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728135
N-[(3-bromothiophen-2-yl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81277844

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine (CID 105047452) is N-[(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine is CCCNC(c1cc2cccc(F)c2o1)c1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine?
The InChIKey is BIAFGOMVAFABHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNOS/c1-2-7-19-14(16-11(17)6-8-21-16)13-9-10-4-3-5-12(18)15(10)20-13/h3-6,8-9,14,19H,2,7H2,1H3.
What are the key properties of N-[(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine?
N-[(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine has a molecular weight of 368.27 g/mol, XLogP of 5.48, 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)-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105047452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).