7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine

C20H17NS — CID 144687607

IUPAC7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine
SMILESCc1ccc2c(c1)sc1c(Nc3ccccc3C)cccc12
InChIInChI=1S/C20H17NS/c1-13-10-11-15-16-7-5-9-18(20(16)22-19(15)12-13)21-17-8-4-3-6-14(17)2/h3-12,21H,1-2H3
InChIKeyIPWFMGPVOQQXMX-UHFFFAOYSA-N
MW303.43 g/mol
LogP6.41
Rot. Bonds2

About 7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine

7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine (PubChem CID 144687607) has the molecular formula C20H17NS and a molecular weight of 303.43 g/mol. Its IUPAC name is 7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound Name7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine
PubChem CID144687607
Molecular FormulaC20H17NS
Molecular Weight303.43 g/mol
Exact Mass303.11
IUPAC Name7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine
SMILESCc1ccc2c(c1)sc1c(Nc3ccccc3C)cccc12
InChIInChI=1S/C20H17NS/c1-13-10-11-15-16-7-5-9-18(20(16)22-19(15)12-13)21-17-8-4-3-6-14(17)2/h3-12,21H,1-2H3
InChIKeyIPWFMGPVOQQXMX-UHFFFAOYSA-N
XLogP6.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.43
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyldibenzothiophene;2-methyldibenzothiophene;bis(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 158815126
bis(1-methyldibenzothiophene);bis(2-methyldibenzothiophene);bis(3-methyldibenzothiophene);4-methyldibenzothiophene;toluene
CID 157283960
bis(1-methyldibenzothiophene);bis(2-methyldibenzothiophene);tris(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 158221081
4-fluoro-3,7-dimethyldibenzothiophene
CID 146657158
N-dibenzothiophen-4-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 165049088
N-pyren-1-yldibenzothiophen-4-amine
CID 137457081
1-methyldibenzofuran;2-methyldibenzofuran;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;bis(4-methyldibenzothiophene);toluene
CID 165090146
6-methyl-3,11-dithiapentacyclo[10.8.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,12,14,16,18-nonaene
CID 118333927
N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 147227535
1-methyldibenzofuran;1-methyldibenzothiophene;2-methyldibenzothiophene;bis(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 159683586
3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine
CID 162500388
4-methyldibenzothiophene;1-methyl-3-(4-phenylphenyl)benzene;1-methyl-4-(4-phenylphenyl)benzene;2-[3-(3-methylphenyl)phenyl]triphenylene;2-[3-(4-methylphenyl)phenyl]triphenylene;2-(3-methylphenyl)triphenylene;2-methyltriphenylene
CID 159755832

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine?
The IUPAC name of 7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine (CID 144687607) is 7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for 7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for 7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine is Cc1ccc2c(c1)sc1c(Nc3ccccc3C)cccc12.
What is the InChIKey of 7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine?
The InChIKey is IPWFMGPVOQQXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NS/c1-13-10-11-15-16-7-5-9-18(20(16)22-19(15)12-13)21-17-8-4-3-6-14(17)2/h3-12,21H,1-2H3.
What are the key properties of 7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine?
7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine has a molecular weight of 303.43 g/mol, XLogP of 6.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 144687607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).