N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride

C15H19BrClNS — CID 3062011

IUPACN-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride
SMILESCC(C)NC(Cc1ccc(Br)cc1)c1cccs1.Cl
InChIInChI=1S/C15H18BrNS.ClH/c1-11(2)17-14(15-4-3-9-18-15)10-12-5-7-13(16)8-6-12;/h3-9,11,14,17H,10H2,1-2H3;1H
InChIKeySERYNMODHVKCSC-UHFFFAOYSA-N
MW360.75 g/mol
LogP5.21
Rot. Bonds5

About N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride

N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride (PubChem CID 3062011) has the molecular formula C15H19BrClNS and a molecular weight of 360.75 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride
PubChem CID3062011
Molecular FormulaC15H19BrClNS
Molecular Weight360.75 g/mol
Exact Mass359.01
IUPAC NameN-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride
SMILESCC(C)NC(Cc1ccc(Br)cc1)c1cccs1.Cl
InChIInChI=1S/C15H18BrNS.ClH/c1-11(2)17-14(15-4-3-9-18-15)10-12-5-7-13(16)8-6-12;/h3-9,11,14,17H,10H2,1-2H3;1H
InChIKeySERYNMODHVKCSC-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.75
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride?
The IUPAC name of N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride (CID 3062011) is N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride?
The canonical SMILES for N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride is CC(C)NC(Cc1ccc(Br)cc1)c1cccs1.Cl.
What is the InChIKey of N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride?
The InChIKey is SERYNMODHVKCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS.ClH/c1-11(2)17-14(15-4-3-9-18-15)10-12-5-7-13(16)8-6-12;/h3-9,11,14,17H,10H2,1-2H3;1H.
What are the key properties of N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride?
N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride has a molecular weight of 360.75 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 3062011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).