N-methyl-2-phenyl-1-benzothiophen-3-amine;hydrochloride

C15H14ClNS — CID 16640465

IUPACN-methyl-2-phenyl-1-benzothiophen-3-amine;hydrochloride
SMILESCNc1c(-c2ccccc2)sc2ccccc12.Cl
InChIInChI=1S/C15H13NS.ClH/c1-16-14-12-9-5-6-10-13(12)17-15(14)11-7-3-2-4-8-11;/h2-10,16H,1H3;1H
InChIKeyFBXMQOROOSKTPU-UHFFFAOYSA-N
MW275.80 g/mol
LogP5.03
Rot. Bonds2

About N-methyl-2-phenyl-1-benzothiophen-3-amine;hydrochloride

N-methyl-2-phenyl-1-benzothiophen-3-amine;hydrochloride (PubChem CID 16640465) has the molecular formula C15H14ClNS and a molecular weight of 275.80 g/mol. Its IUPAC name is N-methyl-2-phenyl-1-benzothiophen-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-phenyl-1-benzothiophen-3-amine;hydrochloride
PubChem CID16640465
Molecular FormulaC15H14ClNS
Molecular Weight275.80 g/mol
Exact Mass275.05
IUPAC NameN-methyl-2-phenyl-1-benzothiophen-3-amine;hydrochloride
SMILESCNc1c(-c2ccccc2)sc2ccccc12.Cl
InChIInChI=1S/C15H13NS.ClH/c1-16-14-12-9-5-6-10-13(12)17-15(14)11-7-3-2-4-8-11;/h2-10,16H,1H3;1H
InChIKeyFBXMQOROOSKTPU-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.80
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-1-benzothiophen-3-amine;hydrochloride?
The IUPAC name of N-methyl-2-phenyl-1-benzothiophen-3-amine;hydrochloride (CID 16640465) is N-methyl-2-phenyl-1-benzothiophen-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-2-phenyl-1-benzothiophen-3-amine;hydrochloride?
The canonical SMILES for N-methyl-2-phenyl-1-benzothiophen-3-amine;hydrochloride is CNc1c(-c2ccccc2)sc2ccccc12.Cl.
What is the InChIKey of N-methyl-2-phenyl-1-benzothiophen-3-amine;hydrochloride?
The InChIKey is FBXMQOROOSKTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS.ClH/c1-16-14-12-9-5-6-10-13(12)17-15(14)11-7-3-2-4-8-11;/h2-10,16H,1H3;1H.
What are the key properties of N-methyl-2-phenyl-1-benzothiophen-3-amine;hydrochloride?
N-methyl-2-phenyl-1-benzothiophen-3-amine;hydrochloride has a molecular weight of 275.80 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-1-benzothiophen-3-amine;hydrochloride is sourced from PubChem (CID 16640465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).