1-benzothiophen-7-yl-[3-(difluoromethoxy)phenyl]methanamine

C16H13F2NOS — CID 105022104

IUPAC1-benzothiophen-7-yl-[3-(difluoromethoxy)phenyl]methanamine
SMILESNC(c1cccc(OC(F)F)c1)c1cccc2ccsc12
InChIInChI=1S/C16H13F2NOS/c17-16(18)20-12-5-1-4-11(9-12)14(19)13-6-2-3-10-7-8-21-15(10)13/h1-9,14,16H,19H2
InChIKeyNURLVLYSAFPDJY-UHFFFAOYSA-N
MW305.35 g/mol
LogP4.55
Rot. Bonds4

About 1-benzothiophen-7-yl-[3-(difluoromethoxy)phenyl]methanamine

1-benzothiophen-7-yl-[3-(difluoromethoxy)phenyl]methanamine (PubChem CID 105022104) has the molecular formula C16H13F2NOS and a molecular weight of 305.35 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-[3-(difluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name1-benzothiophen-7-yl-[3-(difluoromethoxy)phenyl]methanamine
PubChem CID105022104
Molecular FormulaC16H13F2NOS
Molecular Weight305.35 g/mol
Exact Mass305.07
IUPAC Name1-benzothiophen-7-yl-[3-(difluoromethoxy)phenyl]methanamine
SMILESNC(c1cccc(OC(F)F)c1)c1cccc2ccsc12
InChIInChI=1S/C16H13F2NOS/c17-16(18)20-12-5-1-4-11(9-12)14(19)13-6-2-3-10-7-8-21-15(10)13/h1-9,14,16H,19H2
InChIKeyNURLVLYSAFPDJY-UHFFFAOYSA-N
XLogP4.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-7-yl-(3-propan-2-yloxyphenyl)methanamine
CID 105021793
1-benzothiophen-7-yl-(3-propoxyphenyl)methanamine
CID 105021889
1-benzothiophen-7-yl(naphthalen-2-yl)methanamine
CID 81129802
1-benzothiophen-7-yl-(3-bromophenyl)methanamine
CID 81152966
(2-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanamine
CID 115801705
1-benzothiophen-7-yl-(4-fluoro-3-methoxyphenyl)methanamine
CID 105021772
[3-(difluoromethoxy)phenyl]-(2-fluoro-3-methoxyphenyl)methanamine
CID 105025170
[3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine
CID 115852067
1-benzothiophen-7-yl-(2,5-difluorophenyl)methanamine
CID 81154128
[3-(difluoromethoxy)phenyl]-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561286
1-benzothiophen-7-yl-(2,4-dimethoxyphenyl)methanamine
CID 105021986
1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine
CID 81154241

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-[3-(difluoromethoxy)phenyl]methanamine?
The IUPAC name of 1-benzothiophen-7-yl-[3-(difluoromethoxy)phenyl]methanamine (CID 105022104) is 1-benzothiophen-7-yl-[3-(difluoromethoxy)phenyl]methanamine.
What is the SMILES notation for 1-benzothiophen-7-yl-[3-(difluoromethoxy)phenyl]methanamine?
The canonical SMILES for 1-benzothiophen-7-yl-[3-(difluoromethoxy)phenyl]methanamine is NC(c1cccc(OC(F)F)c1)c1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-yl-[3-(difluoromethoxy)phenyl]methanamine?
The InChIKey is NURLVLYSAFPDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NOS/c17-16(18)20-12-5-1-4-11(9-12)14(19)13-6-2-3-10-7-8-21-15(10)13/h1-9,14,16H,19H2.
What are the key properties of 1-benzothiophen-7-yl-[3-(difluoromethoxy)phenyl]methanamine?
1-benzothiophen-7-yl-[3-(difluoromethoxy)phenyl]methanamine has a molecular weight of 305.35 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-[3-(difluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 105022104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).