N-[(7-fluoro-1-benzofuran-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine

C16H16FNO2S — CID 105047600

IUPACN-[(7-fluoro-1-benzofuran-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2cccc(F)c2o1)c1cc(OC)cs1
InChIInChI=1S/C16H16FNO2S/c1-3-18-15(14-8-11(19-2)9-21-14)13-7-10-5-4-6-12(17)16(10)20-13/h4-9,15,18H,3H2,1-2H3
InChIKeyYOZCZFSSGCLBRK-UHFFFAOYSA-N
MW305.37 g/mol
LogP4.34
Rot. Bonds5

About N-[(7-fluoro-1-benzofuran-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine

N-[(7-fluoro-1-benzofuran-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine (PubChem CID 105047600) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is N-[(7-fluoro-1-benzofuran-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(7-fluoro-1-benzofuran-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
PubChem CID105047600
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC NameN-[(7-fluoro-1-benzofuran-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2cccc(F)c2o1)c1cc(OC)cs1
InChIInChI=1S/C16H16FNO2S/c1-3-18-15(14-8-11(19-2)9-21-14)13-7-10-5-4-6-12(17)16(10)20-13/h4-9,15,18H,3H2,1-2H3
InChIKeyYOZCZFSSGCLBRK-UHFFFAOYSA-N
XLogP4.34
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine
CID 114730249
N-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 81128002
N-[(2,5-dibromothiophen-3-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 107969207
[(7-fluoro-1-benzofuran-2-yl)-(4-methoxyphenyl)methyl]hydrazine
CID 105190989
N-[(4-ethylthiadiazol-5-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 105186543
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine
CID 114728068
N-[(4-fluoro-2,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 106878110
N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105013677
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypentan-1-amine
CID 114731148
N-[(7-fluoro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 114728628
N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-4-ylmethyl]ethanamine
CID 114728677
[(2,6-difluorophenyl)-(4-methoxythiophen-2-yl)methyl]hydrazine
CID 105308168

Frequently Asked Questions

What is the IUPAC name of N-[(7-fluoro-1-benzofuran-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(7-fluoro-1-benzofuran-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine (CID 105047600) is N-[(7-fluoro-1-benzofuran-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(7-fluoro-1-benzofuran-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(7-fluoro-1-benzofuran-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine is CCNC(c1cc2cccc(F)c2o1)c1cc(OC)cs1.
What is the InChIKey of N-[(7-fluoro-1-benzofuran-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine?
The InChIKey is YOZCZFSSGCLBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-3-18-15(14-8-11(19-2)9-21-14)13-7-10-5-4-6-12(17)16(10)20-13/h4-9,15,18H,3H2,1-2H3.
What are the key properties of N-[(7-fluoro-1-benzofuran-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine?
N-[(7-fluoro-1-benzofuran-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine has a molecular weight of 305.37 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-fluoro-1-benzofuran-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 105047600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).