N,N-bis(4-methylphenyl)-1-benzothiophen-6-amine

C22H19NS — CID 169225195

IUPACN,N-bis(4-methylphenyl)-1-benzothiophen-6-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3ccsc3c2)cc1
InChIInChI=1S/C22H19NS/c1-16-3-8-19(9-4-16)23(20-10-5-17(2)6-11-20)21-12-7-18-13-14-24-22(18)15-21/h3-15H,1-2H3
InChIKeyPMMJHXUXOQZWJE-UHFFFAOYSA-N
MW329.47 g/mol
LogP6.99
Rot. Bonds3

About N,N-bis(4-methylphenyl)-1-benzothiophen-6-amine

N,N-bis(4-methylphenyl)-1-benzothiophen-6-amine (PubChem CID 169225195) has the molecular formula C22H19NS and a molecular weight of 329.47 g/mol. Its IUPAC name is N,N-bis(4-methylphenyl)-1-benzothiophen-6-amine.

Molecular Properties

Compound NameN,N-bis(4-methylphenyl)-1-benzothiophen-6-amine
PubChem CID169225195
Molecular FormulaC22H19NS
Molecular Weight329.47 g/mol
Exact Mass329.12
IUPAC NameN,N-bis(4-methylphenyl)-1-benzothiophen-6-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3ccsc3c2)cc1
InChIInChI=1S/C22H19NS/c1-16-3-8-19(9-4-16)23(20-10-5-17(2)6-11-20)21-12-7-18-13-14-24-22(18)15-21/h3-15H,1-2H3
InChIKeyPMMJHXUXOQZWJE-UHFFFAOYSA-N
XLogP6.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.47
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-N,6-N,16-N,16-N-tetrakis(4-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166032335
8-N-(1-benzothiophen-5-yl)-4-N,4-N,8-N-tris(1-benzothiophen-6-yl)thieno[2,3-f][1]benzothiole-4,8-diamine
CID 171404644
5-N,5-N,10-N,10-N-tetrakis(4-methylphenyl)-[1]benzothiolo[6,5-f][1]benzothiole-5,10-diamine
CID 134472864
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
9-N,23-N-bis(4-methylphenyl)-9-N,23-N-diphenyl-14,18-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155360437
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528
N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane
CID 143481987
N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334
ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline
CID 143762169
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-benzothiophen-6-amine
CID 170277077
2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754908

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methylphenyl)-1-benzothiophen-6-amine?
The IUPAC name of N,N-bis(4-methylphenyl)-1-benzothiophen-6-amine (CID 169225195) is N,N-bis(4-methylphenyl)-1-benzothiophen-6-amine.
What is the SMILES notation for N,N-bis(4-methylphenyl)-1-benzothiophen-6-amine?
The canonical SMILES for N,N-bis(4-methylphenyl)-1-benzothiophen-6-amine is Cc1ccc(N(c2ccc(C)cc2)c2ccc3ccsc3c2)cc1.
What is the InChIKey of N,N-bis(4-methylphenyl)-1-benzothiophen-6-amine?
The InChIKey is PMMJHXUXOQZWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NS/c1-16-3-8-19(9-4-16)23(20-10-5-17(2)6-11-20)21-12-7-18-13-14-24-22(18)15-21/h3-15H,1-2H3.
What are the key properties of N,N-bis(4-methylphenyl)-1-benzothiophen-6-amine?
N,N-bis(4-methylphenyl)-1-benzothiophen-6-amine has a molecular weight of 329.47 g/mol, XLogP of 6.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methylphenyl)-1-benzothiophen-6-amine is sourced from PubChem (CID 169225195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).