N3-Methyl-N3-phenylbenzo [b]thiophene-2,3-diamine hydrochloride

C15H13N2S — CID 140841356

IUPAC—
SMILESCN(c1ccccc1)c1c([NH])sc2ccccc12
InChIInChI=1S/C15H13N2S/c1-17(11-7-3-2-4-8-11)14-12-9-5-6-10-13(12)18-15(14)16/h2-10,16H,1H3
InChIKeyABKOXDAHIXTSRO-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.58
Rot. Bonds2

About N3-Methyl-N3-phenylbenzo [b]thiophene-2,3-diamine hydrochloride

N3-Methyl-N3-phenylbenzo [b]thiophene-2,3-diamine hydrochloride (PubChem CID 140841356) has the molecular formula C15H13N2S and a molecular weight of 253.35 g/mol.

Molecular Properties

Compound NameN3-Methyl-N3-phenylbenzo [b]thiophene-2,3-diamine hydrochloride
PubChem CID140841356
Molecular FormulaC15H13N2S
Molecular Weight253.35 g/mol
Exact Mass253.08
IUPAC Name—
SMILESCN(c1ccccc1)c1c([NH])sc2ccccc12
InChIInChI=1S/C15H13N2S/c1-17(11-7-3-2-4-8-11)14-12-9-5-6-10-13(12)18-15(14)16/h2-10,16H,1H3
InChIKeyABKOXDAHIXTSRO-UHFFFAOYSA-N
XLogP4.58
TPSA27.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-phenyldibenzothiophen-1-amine
CID 137491193
ethene;N-methyl-N-phenylaniline
CID 144541479
N-methyl-N-phenylanthracen-9-amine
CID 22944738
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
9-N,10-N,2-trimethyl-9-N,10-N-diphenylphenanthrene-9,10-diamine
CID 59806582
3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide
CID 1222512
bis(dibenzothiophene);ethane
CID 143921746
N-methyl-N-[4-[4-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]phenyl]dibenzothiophen-2-amine
CID 23593343
N-ethyl-N-methyl-2-phenyl-1-benzothiophen-3-amine
CID 21315894
bis[5-(N-methylanilino)thiophen-2-yl]methanone
CID 27001424
N-methyl-N-(4-methylphenyl)dibenzothiophen-4-amine
CID 138652425
N-benzyl-N-methyl-2-phenyl-1-benzothiophen-3-amine
CID 16640362

Frequently Asked Questions

What is the IUPAC name of N3-Methyl-N3-phenylbenzo [b]thiophene-2,3-diamine hydrochloride?
The IUPAC name of N3-Methyl-N3-phenylbenzo [b]thiophene-2,3-diamine hydrochloride (CID 140841356) is not available.
What is the SMILES notation for N3-Methyl-N3-phenylbenzo [b]thiophene-2,3-diamine hydrochloride?
The canonical SMILES for N3-Methyl-N3-phenylbenzo [b]thiophene-2,3-diamine hydrochloride is CN(c1ccccc1)c1c([NH])sc2ccccc12.
What is the InChIKey of N3-Methyl-N3-phenylbenzo [b]thiophene-2,3-diamine hydrochloride?
The InChIKey is ABKOXDAHIXTSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N2S/c1-17(11-7-3-2-4-8-11)14-12-9-5-6-10-13(12)18-15(14)16/h2-10,16H,1H3.
What are the key properties of N3-Methyl-N3-phenylbenzo [b]thiophene-2,3-diamine hydrochloride?
N3-Methyl-N3-phenylbenzo [b]thiophene-2,3-diamine hydrochloride has a molecular weight of 253.35 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N3-Methyl-N3-phenylbenzo [b]thiophene-2,3-diamine hydrochloride is sourced from PubChem (CID 140841356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).