N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzothiophen-4-amine

C24H25NS — CID 138651513

IUPACN-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzothiophen-4-amine
SMILESCCc1ccccc1N(C)c1cccc2c1sc1c(C(C)C)cccc12
InChIInChI=1S/C24H25NS/c1-5-17-10-6-7-14-21(17)25(4)22-15-9-13-20-19-12-8-11-18(16(2)3)23(19)26-24(20)22/h6-16H,5H2,1-4H3
InChIKeyHVTROLSYSRQZNK-UHFFFAOYSA-N
MW359.54 g/mol
LogP7.51
Rot. Bonds4

About N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzothiophen-4-amine

N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzothiophen-4-amine (PubChem CID 138651513) has the molecular formula C24H25NS and a molecular weight of 359.54 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzothiophen-4-amine
PubChem CID138651513
Molecular FormulaC24H25NS
Molecular Weight359.54 g/mol
Exact Mass359.17
IUPAC NameN-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzothiophen-4-amine
SMILESCCc1ccccc1N(C)c1cccc2c1sc1c(C(C)C)cccc12
InChIInChI=1S/C24H25NS/c1-5-17-10-6-7-14-21(17)25(4)22-15-9-13-20-19-12-8-11-18(16(2)3)23(19)26-24(20)22/h6-16H,5H2,1-4H3
InChIKeyHVTROLSYSRQZNK-UHFFFAOYSA-N
XLogP7.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.54
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-phenyldibenzothiophen-2-amine
CID 90181893
3-[3-(aminomethyl)-1-benzothiophen-2-yl]-N,N-dimethylaniline
CID 46228260
1-Dibenzothiophen-2-yl-2,3-dihydroindole
CID 168271083
1-dibenzothiophen-2-yl-3,4-dihydro-2H-quinoline
CID 168272893
N,N-diethyldibenzothiophen-2-amine
CID 168287033
3-[dibenzothiophen-4-yl(dimethyl)silyl]-N,N-dimethylaniline
CID 171394313
1-N,1-N,9-N,9-N-tetramethyldibenzothiophene-1,9-diamine
CID 14024666
3-(1-benzothiophen-2-yl)-N,N-dimethylaniline
CID 21315909
N,8-dimethyl-N-[2-methyl-4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine
CID 23593254
N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzothiophen-2-amine
CID 23593256
N-(3-fluorophenyl)-N,8-dimethyldibenzothiophen-2-amine
CID 23597847
N-(2-fluorophenyl)dibenzothiophen-4-amine
CID 89799127

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzothiophen-4-amine?
The IUPAC name of N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzothiophen-4-amine (CID 138651513) is N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzothiophen-4-amine.
What is the SMILES notation for N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzothiophen-4-amine?
The canonical SMILES for N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzothiophen-4-amine is CCc1ccccc1N(C)c1cccc2c1sc1c(C(C)C)cccc12.
What is the InChIKey of N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzothiophen-4-amine?
The InChIKey is HVTROLSYSRQZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NS/c1-5-17-10-6-7-14-21(17)25(4)22-15-9-13-20-19-12-8-11-18(16(2)3)23(19)26-24(20)22/h6-16H,5H2,1-4H3.
What are the key properties of N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzothiophen-4-amine?
N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzothiophen-4-amine has a molecular weight of 359.54 g/mol, XLogP of 7.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzothiophen-4-amine is sourced from PubChem (CID 138651513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).