1-(1-benzothiophen-7-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine

C17H16FNOS — CID 81300650

IUPAC1-(1-benzothiophen-7-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1F)c1cccc2ccsc12
InChIInChI=1S/C17H16FNOS/c1-19-16(13-7-6-12(20-2)10-15(13)18)14-5-3-4-11-8-9-21-17(11)14/h3-10,16,19H,1-2H3
InChIKeyFGJZDTICLPCWQJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.36
Rot. Bonds4

About 1-(1-benzothiophen-7-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine

1-(1-benzothiophen-7-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 81300650) has the molecular formula C17H16FNOS and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID81300650
Molecular FormulaC17H16FNOS
Molecular Weight301.39 g/mol
Exact Mass301.09
IUPAC Name1-(1-benzothiophen-7-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1F)c1cccc2ccsc12
InChIInChI=1S/C17H16FNOS/c1-19-16(13-7-6-12(20-2)10-15(13)18)14-5-3-4-11-8-9-21-17(11)14/h3-10,16,19H,1-2H3
InChIKeyFGJZDTICLPCWQJ-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43561402
1-(1-benzothiophen-7-yl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81129107
1-(1-benzothiophen-7-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 105021845
1-(1-benzothiophen-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 81152982
1-(1-benzothiophen-7-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 105021764
1-benzothiophen-7-yl-(2,4-dimethoxyphenyl)methanamine
CID 105021986
1-(1-benzothiophen-7-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 105021830
1-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43561335
3-[(2-fluoro-4-methoxyphenyl)-(methylamino)methyl]pyridin-2-amine
CID 81304169
1-(2-chloro-3-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 81454582
1-(1-benzothiophen-7-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 105021929
1-(1-benzothiophen-7-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
CID 107968843

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine (CID 81300650) is 1-(1-benzothiophen-7-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc(OC)cc1F)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is FGJZDTICLPCWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNOS/c1-19-16(13-7-6-12(20-2)10-15(13)18)14-5-3-4-11-8-9-21-17(11)14/h3-10,16,19H,1-2H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine?
1-(1-benzothiophen-7-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 301.39 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 81300650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).