N-benzyl-N-methyl-2-phenyl-1-benzothiophen-3-amine

C22H19NS — CID 16640362

IUPACN-benzyl-N-methyl-2-phenyl-1-benzothiophen-3-amine
SMILESCN(Cc1ccccc1)c1c(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C22H19NS/c1-23(16-17-10-4-2-5-11-17)21-19-14-8-9-15-20(19)24-22(21)18-12-6-3-7-13-18/h2-15H,16H2,1H3
InChIKeyCVEQVHVLZKZCHP-UHFFFAOYSA-N
MW329.47 g/mol
LogP6.20
Rot. Bonds4

About N-benzyl-N-methyl-2-phenyl-1-benzothiophen-3-amine

N-benzyl-N-methyl-2-phenyl-1-benzothiophen-3-amine (PubChem CID 16640362) has the molecular formula C22H19NS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-phenyl-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-phenyl-1-benzothiophen-3-amine
PubChem CID16640362
Molecular FormulaC22H19NS
Molecular Weight329.47 g/mol
Exact Mass329.12
IUPAC NameN-benzyl-N-methyl-2-phenyl-1-benzothiophen-3-amine
SMILESCN(Cc1ccccc1)c1c(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C22H19NS/c1-23(16-17-10-4-2-5-11-17)21-19-14-8-9-15-20(19)24-22(21)18-12-6-3-7-13-18/h2-15H,16H2,1H3
InChIKeyCVEQVHVLZKZCHP-UHFFFAOYSA-N
XLogP6.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.47
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-phenyl-1-benzothiophen-3-amine?
The IUPAC name of N-benzyl-N-methyl-2-phenyl-1-benzothiophen-3-amine (CID 16640362) is N-benzyl-N-methyl-2-phenyl-1-benzothiophen-3-amine.
What is the SMILES notation for N-benzyl-N-methyl-2-phenyl-1-benzothiophen-3-amine?
The canonical SMILES for N-benzyl-N-methyl-2-phenyl-1-benzothiophen-3-amine is CN(Cc1ccccc1)c1c(-c2ccccc2)sc2ccccc12.
What is the InChIKey of N-benzyl-N-methyl-2-phenyl-1-benzothiophen-3-amine?
The InChIKey is CVEQVHVLZKZCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NS/c1-23(16-17-10-4-2-5-11-17)21-19-14-8-9-15-20(19)24-22(21)18-12-6-3-7-13-18/h2-15H,16H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-phenyl-1-benzothiophen-3-amine?
N-benzyl-N-methyl-2-phenyl-1-benzothiophen-3-amine has a molecular weight of 329.47 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-phenyl-1-benzothiophen-3-amine is sourced from PubChem (CID 16640362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).