1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine

C17H18FNOS — CID 105176632

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(F)ccc1OC)C1Cc2ccccc2S1
InChIInChI=1S/C17H18FNOS/c1-19-17(13-10-12(18)7-8-14(13)20-2)16-9-11-5-3-4-6-15(11)21-16/h3-8,10,16-17,19H,9H2,1-2H3
InChIKeySEAWSNAOEPLMHF-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.81
Rot. Bonds4

About 1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine

1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine (PubChem CID 105176632) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
PubChem CID105176632
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(F)ccc1OC)C1Cc2ccccc2S1
InChIInChI=1S/C17H18FNOS/c1-19-17(13-10-12(18)7-8-14(13)20-2)16-9-11-5-3-4-6-15(11)21-16/h3-8,10,16-17,19H,9H2,1-2H3
InChIKeySEAWSNAOEPLMHF-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine (CID 105176632) is 1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine is CNC(c1cc(F)ccc1OC)C1Cc2ccccc2S1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine?
The InChIKey is SEAWSNAOEPLMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-19-17(13-10-12(18)7-8-14(13)20-2)16-9-11-5-3-4-6-15(11)21-16/h3-8,10,16-17,19H,9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine?
1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine has a molecular weight of 303.40 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 105176632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).