4-bromo-5-methyl-N,N-diphenylthiophen-2-amine

C17H14BrNS — CID 118581123

IUPAC4-bromo-5-methyl-N,N-diphenylthiophen-2-amine
SMILESCc1sc(N(c2ccccc2)c2ccccc2)cc1Br
InChIInChI=1S/C17H14BrNS/c1-13-16(18)12-17(20-13)19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyLIRXJZYRNPWDCI-UHFFFAOYSA-N
MW344.28 g/mol
LogP6.29
Rot. Bonds3

About 4-bromo-5-methyl-N,N-diphenylthiophen-2-amine

4-bromo-5-methyl-N,N-diphenylthiophen-2-amine (PubChem CID 118581123) has the molecular formula C17H14BrNS and a molecular weight of 344.28 g/mol. Its IUPAC name is 4-bromo-5-methyl-N,N-diphenylthiophen-2-amine.

Molecular Properties

Compound Name4-bromo-5-methyl-N,N-diphenylthiophen-2-amine
PubChem CID118581123
Molecular FormulaC17H14BrNS
Molecular Weight344.28 g/mol
Exact Mass343.00
IUPAC Name4-bromo-5-methyl-N,N-diphenylthiophen-2-amine
SMILESCc1sc(N(c2ccccc2)c2ccccc2)cc1Br
InChIInChI=1S/C17H14BrNS/c1-13-16(18)12-17(20-13)19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyLIRXJZYRNPWDCI-UHFFFAOYSA-N
XLogP6.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.28
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N,6-N,6-N-tetraphenylthieno[2,3-f][1]benzothiole-2,6-diamine
CID 177268718
N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]thiophen-2-yl]thiophen-2-amine
CID 43833527
N,N-diphenylaniline;silane
CID 131739129
3,4,5-tribromo-N,N-diphenylaniline
CID 147691236
N,N-diphenylaniline;ethene
CID 135186601
N,N-diphenyl-5-[4-[2,3,7,8-tetramethyl-5-[4-[5-(N-phenylanilino)thiophen-2-yl]phenyl]pyrazino[2,3-g]quinoxalin-10-yl]phenyl]thiophen-2-amine
CID 138489029
4-bromo-N-(3-methylphenyl)-N-phenyldibenzothiophen-2-amine
CID 153498002
2-bromo-N-(4-methylphenyl)-N-phenylaniline
CID 138413970
3,5-dimethyl-N,N-diphenylaniline
CID 10516410
7,8-dimethyl-2-N,2-N,3-N,3-N-tetraphenyldibenzothiophene-2,3-diamine
CID 58849587
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
9,18-bis(3,5-dimethylphenyl)-6-N,6-N,15-N,15-N-tetraphenyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-diamine
CID 118135762

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-N,N-diphenylthiophen-2-amine?
The IUPAC name of 4-bromo-5-methyl-N,N-diphenylthiophen-2-amine (CID 118581123) is 4-bromo-5-methyl-N,N-diphenylthiophen-2-amine.
What is the SMILES notation for 4-bromo-5-methyl-N,N-diphenylthiophen-2-amine?
The canonical SMILES for 4-bromo-5-methyl-N,N-diphenylthiophen-2-amine is Cc1sc(N(c2ccccc2)c2ccccc2)cc1Br.
What is the InChIKey of 4-bromo-5-methyl-N,N-diphenylthiophen-2-amine?
The InChIKey is LIRXJZYRNPWDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNS/c1-13-16(18)12-17(20-13)19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12H,1H3.
What are the key properties of 4-bromo-5-methyl-N,N-diphenylthiophen-2-amine?
4-bromo-5-methyl-N,N-diphenylthiophen-2-amine has a molecular weight of 344.28 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-N,N-diphenylthiophen-2-amine is sourced from PubChem (CID 118581123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).