N-(2-bromophenyl)-N-phenylthiophen-2-amine

C16H12BrNS — CID 155666006

IUPACN-(2-bromophenyl)-N-phenylthiophen-2-amine
SMILESBrc1ccccc1N(c1ccccc1)c1cccs1
InChIInChI=1S/C16H12BrNS/c17-14-9-4-5-10-15(14)18(16-11-6-12-19-16)13-7-2-1-3-8-13/h1-12H
InChIKeyWXQGAZOJTMJVGD-UHFFFAOYSA-N
MW330.25 g/mol
LogP5.98
Rot. Bonds3

About N-(2-bromophenyl)-N-phenylthiophen-2-amine

N-(2-bromophenyl)-N-phenylthiophen-2-amine (PubChem CID 155666006) has the molecular formula C16H12BrNS and a molecular weight of 330.25 g/mol. Its IUPAC name is N-(2-bromophenyl)-N-phenylthiophen-2-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-N-phenylthiophen-2-amine
PubChem CID155666006
Molecular FormulaC16H12BrNS
Molecular Weight330.25 g/mol
Exact Mass328.99
IUPAC NameN-(2-bromophenyl)-N-phenylthiophen-2-amine
SMILESBrc1ccccc1N(c1ccccc1)c1cccs1
InChIInChI=1S/C16H12BrNS/c17-14-9-4-5-10-15(14)18(16-11-6-12-19-16)13-7-2-1-3-8-13/h1-12H
InChIKeyWXQGAZOJTMJVGD-UHFFFAOYSA-N
XLogP5.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.25
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N-phenylthiophen-2-amine?
The IUPAC name of N-(2-bromophenyl)-N-phenylthiophen-2-amine (CID 155666006) is N-(2-bromophenyl)-N-phenylthiophen-2-amine.
What is the SMILES notation for N-(2-bromophenyl)-N-phenylthiophen-2-amine?
The canonical SMILES for N-(2-bromophenyl)-N-phenylthiophen-2-amine is Brc1ccccc1N(c1ccccc1)c1cccs1.
What is the InChIKey of N-(2-bromophenyl)-N-phenylthiophen-2-amine?
The InChIKey is WXQGAZOJTMJVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNS/c17-14-9-4-5-10-15(14)18(16-11-6-12-19-16)13-7-2-1-3-8-13/h1-12H.
What are the key properties of N-(2-bromophenyl)-N-phenylthiophen-2-amine?
N-(2-bromophenyl)-N-phenylthiophen-2-amine has a molecular weight of 330.25 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N-phenylthiophen-2-amine is sourced from PubChem (CID 155666006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).