2-(2-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-2-amine

C15H18BrNS — CID 62620893

IUPAC2-(2-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-2-amine
SMILESCCc1ccc(CC(C)(N)c2ccccc2Br)s1
InChIInChI=1S/C15H18BrNS/c1-3-11-8-9-12(18-11)10-15(2,17)13-6-4-5-7-14(13)16/h4-9H,3,10,17H2,1-2H3
InChIKeyXDCHGERVRNJJLC-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.49
Rot. Bonds4

About 2-(2-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-2-amine

2-(2-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-2-amine (PubChem CID 62620893) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-2-amine
PubChem CID62620893
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name2-(2-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-2-amine
SMILESCCc1ccc(CC(C)(N)c2ccccc2Br)s1
InChIInChI=1S/C15H18BrNS/c1-3-11-8-9-12(18-11)10-15(2,17)13-6-4-5-7-14(13)16/h4-9H,3,10,17H2,1-2H3
InChIKeyXDCHGERVRNJJLC-UHFFFAOYSA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-2-amine?
The IUPAC name of 2-(2-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-2-amine (CID 62620893) is 2-(2-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-2-amine?
The canonical SMILES for 2-(2-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-2-amine is CCc1ccc(CC(C)(N)c2ccccc2Br)s1.
What is the InChIKey of 2-(2-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-2-amine?
The InChIKey is XDCHGERVRNJJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-3-11-8-9-12(18-11)10-15(2,17)13-6-4-5-7-14(13)16/h4-9H,3,10,17H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-2-amine?
2-(2-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-2-amine has a molecular weight of 324.29 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 62620893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).