N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine

C17H17NOS — CID 10612994

IUPACN,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine
SMILESCN(C)c1cc2ccc(OCc3ccccc3)cc2s1
InChIInChI=1S/C17H17NOS/c1-18(2)17-10-14-8-9-15(11-16(14)20-17)19-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChIKeyGKAJJEOXDGDXKG-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.55
Rot. Bonds4

About N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine

N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine (PubChem CID 10612994) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine
PubChem CID10612994
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC NameN,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine
SMILESCN(C)c1cc2ccc(OCc3ccccc3)cc2s1
InChIInChI=1S/C17H17NOS/c1-18(2)17-10-14-8-9-15(11-16(14)20-17)19-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChIKeyGKAJJEOXDGDXKG-UHFFFAOYSA-N
XLogP4.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine?
The IUPAC name of N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine (CID 10612994) is N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine.
What is the SMILES notation for N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine?
The canonical SMILES for N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine is CN(C)c1cc2ccc(OCc3ccccc3)cc2s1.
What is the InChIKey of N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine?
The InChIKey is GKAJJEOXDGDXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-18(2)17-10-14-8-9-15(11-16(14)20-17)19-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3.
What are the key properties of N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine?
N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine has a molecular weight of 283.40 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine is sourced from PubChem (CID 10612994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).