N-methyl-N-(4-methylphenyl)dibenzothiophen-4-amine

C20H17NS — CID 138652425

IUPACN-methyl-N-(4-methylphenyl)dibenzothiophen-4-amine
SMILESCc1ccc(N(C)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C20H17NS/c1-14-10-12-15(13-11-14)21(2)18-8-5-7-17-16-6-3-4-9-19(16)22-20(17)18/h3-13H,1-2H3
InChIKeyCUHMXTYCAKZHAP-UHFFFAOYSA-N
MW303.43 g/mol
LogP6.13
Rot. Bonds2

About N-methyl-N-(4-methylphenyl)dibenzothiophen-4-amine

N-methyl-N-(4-methylphenyl)dibenzothiophen-4-amine (PubChem CID 138652425) has the molecular formula C20H17NS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)dibenzothiophen-4-amine
PubChem CID138652425
Molecular FormulaC20H17NS
Molecular Weight303.43 g/mol
Exact Mass303.11
IUPAC NameN-methyl-N-(4-methylphenyl)dibenzothiophen-4-amine
SMILESCc1ccc(N(C)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C20H17NS/c1-14-10-12-15(13-11-14)21(2)18-8-5-7-17-16-6-3-4-9-19(16)22-20(17)18/h3-13H,1-2H3
InChIKeyCUHMXTYCAKZHAP-UHFFFAOYSA-N
XLogP6.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.43
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 59022100
N-methyl-N-phenyldibenzothiophen-1-amine
CID 137491193
N-[4-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405
9-N,10-N-di(dibenzothiophen-4-yl)-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine
CID 58461923
4-(4-methylphenyl)dibenzothiophene;methylphosphane
CID 142353145
CID 163661867
CID 163661867
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
6-N,12-N-bis(4-dibenzothiophen-4-ylphenyl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine
CID 58461928
1-N-dibenzothiophen-4-yl-6-N-(7-methyldibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 170062740
N-[2-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 139322283
N-dibenzothiophen-4-yl-N-(4-pyridin-4-ylphenyl)dibenzothiophen-4-amine
CID 169061493

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-methyl-N-(4-methylphenyl)dibenzothiophen-4-amine (CID 138652425) is N-methyl-N-(4-methylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-methyl-N-(4-methylphenyl)dibenzothiophen-4-amine is Cc1ccc(N(C)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)dibenzothiophen-4-amine?
The InChIKey is CUHMXTYCAKZHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NS/c1-14-10-12-15(13-11-14)21(2)18-8-5-7-17-16-6-3-4-9-19(16)22-20(17)18/h3-13H,1-2H3.
What are the key properties of N-methyl-N-(4-methylphenyl)dibenzothiophen-4-amine?
N-methyl-N-(4-methylphenyl)dibenzothiophen-4-amine has a molecular weight of 303.43 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 138652425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).