N,6-dimethyl-N-(2-propan-2-ylphenyl)dibenzothiophen-4-amine

C23H23NS — CID 134528013

IUPACN,6-dimethyl-N-(2-propan-2-ylphenyl)dibenzothiophen-4-amine
SMILESCc1cccc2c1sc1c(N(C)c3ccccc3C(C)C)cccc12
InChIInChI=1S/C23H23NS/c1-15(2)17-10-5-6-13-20(17)24(4)21-14-8-12-19-18-11-7-9-16(3)22(18)25-23(19)21/h5-15H,1-4H3
InChIKeyGTKOTFQMMIOULC-UHFFFAOYSA-N
MW345.51 g/mol
LogP7.25
Rot. Bonds3

About N,6-dimethyl-N-(2-propan-2-ylphenyl)dibenzothiophen-4-amine

N,6-dimethyl-N-(2-propan-2-ylphenyl)dibenzothiophen-4-amine (PubChem CID 134528013) has the molecular formula C23H23NS and a molecular weight of 345.51 g/mol. Its IUPAC name is N,6-dimethyl-N-(2-propan-2-ylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-(2-propan-2-ylphenyl)dibenzothiophen-4-amine
PubChem CID134528013
Molecular FormulaC23H23NS
Molecular Weight345.51 g/mol
Exact Mass345.16
IUPAC NameN,6-dimethyl-N-(2-propan-2-ylphenyl)dibenzothiophen-4-amine
SMILESCc1cccc2c1sc1c(N(C)c3ccccc3C(C)C)cccc12
InChIInChI=1S/C23H23NS/c1-15(2)17-10-5-6-13-20(17)24(4)21-14-8-12-19-18-11-7-9-16(3)22(18)25-23(19)21/h5-15H,1-4H3
InChIKeyGTKOTFQMMIOULC-UHFFFAOYSA-N
XLogP7.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.51
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine
CID 134528053
N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzothiophen-4-amine
CID 138651513
4,6-dimethyldibenzothiophene
CID 161055331
N,N-di(phenanthren-9-yl)-6-propan-2-yldibenzothiophen-4-amine
CID 129118397
N-(2-tert-butylcyclohexa-1,5-dien-1-yl)-N,6-dimethyldibenzothiophen-4-amine
CID 135244026
N-cyclohexa-2,4-dien-1-yl-N,6-dimethyldibenzothiophen-4-amine
CID 167249229
2,6-dimethyl-N-propan-2-yl-N-(2-propan-2-ylphenyl)aniline
CID 155616430
6-tert-butyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 134527978
6-fluoro-N-methyl-N-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-amine
CID 134528026
N-(2-tert-butylphenyl)-6-fluoro-N-methyldibenzothiophen-4-amine
CID 134528024
N-methyl-N-(4-methylphenyl)dibenzothiophen-4-amine
CID 138652425
4,5-dimethylthioxanthen-9-one
CID 10800095

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-(2-propan-2-ylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N,6-dimethyl-N-(2-propan-2-ylphenyl)dibenzothiophen-4-amine (CID 134528013) is N,6-dimethyl-N-(2-propan-2-ylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N,6-dimethyl-N-(2-propan-2-ylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N,6-dimethyl-N-(2-propan-2-ylphenyl)dibenzothiophen-4-amine is Cc1cccc2c1sc1c(N(C)c3ccccc3C(C)C)cccc12.
What is the InChIKey of N,6-dimethyl-N-(2-propan-2-ylphenyl)dibenzothiophen-4-amine?
The InChIKey is GTKOTFQMMIOULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NS/c1-15(2)17-10-5-6-13-20(17)24(4)21-14-8-12-19-18-11-7-9-16(3)22(18)25-23(19)21/h5-15H,1-4H3.
What are the key properties of N,6-dimethyl-N-(2-propan-2-ylphenyl)dibenzothiophen-4-amine?
N,6-dimethyl-N-(2-propan-2-ylphenyl)dibenzothiophen-4-amine has a molecular weight of 345.51 g/mol, XLogP of 7.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-(2-propan-2-ylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 134528013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).