N-methyl-N-phenyldibenzothiophen-2-amine

C19H15NS — CID 90181893

IUPACN-methyl-N-phenyldibenzothiophen-2-amine
SMILESCN(c1ccccc1)c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C19H15NS/c1-20(14-7-3-2-4-8-14)15-11-12-19-17(13-15)16-9-5-6-10-18(16)21-19/h2-13H,1H3
InChIKeyNSKQANZQAGUZCG-UHFFFAOYSA-N
MW289.40 g/mol
LogP5.82
Rot. Bonds2

About N-methyl-N-phenyldibenzothiophen-2-amine

N-methyl-N-phenyldibenzothiophen-2-amine (PubChem CID 90181893) has the molecular formula C19H15NS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-methyl-N-phenyldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-methyl-N-phenyldibenzothiophen-2-amine
PubChem CID90181893
Molecular FormulaC19H15NS
Molecular Weight289.40 g/mol
Exact Mass289.09
IUPAC NameN-methyl-N-phenyldibenzothiophen-2-amine
SMILESCN(c1ccccc1)c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C19H15NS/c1-20(14-7-3-2-4-8-14)15-11-12-19-17(13-15)16-9-5-6-10-18(16)21-19/h2-13H,1H3
InChIKeyNSKQANZQAGUZCG-UHFFFAOYSA-N
XLogP5.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.40
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Dibenzothiophenamine
CID 298442
N-(1-benzothiophen-5-yl)-N-benzylpiperidin-4-amine
CID 44467960
3-methyl-N-phenyl-1-benzothiophene-2-carbothioamide
CID 2824353
2-Acetamidodibenzothiophene
CID 108627
1-(2-Phenyl-1-benzothiophen-3-yl)piperidine
CID 11208609
Dibenzothiophene-2,8-diamine
CID 12086410
N-phenyl dibenzothiophen-2-amine
CID 66837789
(1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-2-(4-methylphenyl)-4-phenyl-, hydrochloride
CID 3053929
2-[4-(Dimethylamino)phenyl]-1-benzothiophene-3-carbonitrile
CID 46228108
3-[3-(aminomethyl)-1-benzothiophen-2-yl]-N,N-dimethylaniline
CID 46228260
4-Dibenzothiophen-2-ylmorpholine
CID 168269029
N-hexyldibenzothiophen-2-amine
CID 168269134

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyldibenzothiophen-2-amine?
The IUPAC name of N-methyl-N-phenyldibenzothiophen-2-amine (CID 90181893) is N-methyl-N-phenyldibenzothiophen-2-amine.
What is the SMILES notation for N-methyl-N-phenyldibenzothiophen-2-amine?
The canonical SMILES for N-methyl-N-phenyldibenzothiophen-2-amine is CN(c1ccccc1)c1ccc2sc3ccccc3c2c1.
What is the InChIKey of N-methyl-N-phenyldibenzothiophen-2-amine?
The InChIKey is NSKQANZQAGUZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NS/c1-20(14-7-3-2-4-8-14)15-11-12-19-17(13-15)16-9-5-6-10-18(16)21-19/h2-13H,1H3.
What are the key properties of N-methyl-N-phenyldibenzothiophen-2-amine?
N-methyl-N-phenyldibenzothiophen-2-amine has a molecular weight of 289.40 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyldibenzothiophen-2-amine is sourced from PubChem (CID 90181893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).