N-(2-phenyl-1-thiophen-2-ylethyl)propan-2-amine;hydrochloride

C15H20ClNS — CID 3061991

IUPACN-(2-phenyl-1-thiophen-2-ylethyl)propan-2-amine;hydrochloride
SMILESCC(C)NC(Cc1ccccc1)c1cccs1.Cl
InChIInChI=1S/C15H19NS.ClH/c1-12(2)16-14(15-9-6-10-17-15)11-13-7-4-3-5-8-13;/h3-10,12,14,16H,11H2,1-2H3;1H
InChIKeyAPWIFYHWGKSYTD-UHFFFAOYSA-N
MW281.85 g/mol
LogP4.45
Rot. Bonds5

About N-(2-phenyl-1-thiophen-2-ylethyl)propan-2-amine;hydrochloride

N-(2-phenyl-1-thiophen-2-ylethyl)propan-2-amine;hydrochloride (PubChem CID 3061991) has the molecular formula C15H20ClNS and a molecular weight of 281.85 g/mol. Its IUPAC name is N-(2-phenyl-1-thiophen-2-ylethyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-phenyl-1-thiophen-2-ylethyl)propan-2-amine;hydrochloride
PubChem CID3061991
Molecular FormulaC15H20ClNS
Molecular Weight281.85 g/mol
Exact Mass281.10
IUPAC NameN-(2-phenyl-1-thiophen-2-ylethyl)propan-2-amine;hydrochloride
SMILESCC(C)NC(Cc1ccccc1)c1cccs1.Cl
InChIInChI=1S/C15H19NS.ClH/c1-12(2)16-14(15-9-6-10-17-15)11-13-7-4-3-5-8-13;/h3-10,12,14,16H,11H2,1-2H3;1H
InChIKeyAPWIFYHWGKSYTD-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.85
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-1-thiophen-2-ylethyl)propan-2-amine;hydrochloride?
The IUPAC name of N-(2-phenyl-1-thiophen-2-ylethyl)propan-2-amine;hydrochloride (CID 3061991) is N-(2-phenyl-1-thiophen-2-ylethyl)propan-2-amine;hydrochloride.
What is the SMILES notation for N-(2-phenyl-1-thiophen-2-ylethyl)propan-2-amine;hydrochloride?
The canonical SMILES for N-(2-phenyl-1-thiophen-2-ylethyl)propan-2-amine;hydrochloride is CC(C)NC(Cc1ccccc1)c1cccs1.Cl.
What is the InChIKey of N-(2-phenyl-1-thiophen-2-ylethyl)propan-2-amine;hydrochloride?
The InChIKey is APWIFYHWGKSYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS.ClH/c1-12(2)16-14(15-9-6-10-17-15)11-13-7-4-3-5-8-13;/h3-10,12,14,16H,11H2,1-2H3;1H.
What are the key properties of N-(2-phenyl-1-thiophen-2-ylethyl)propan-2-amine;hydrochloride?
N-(2-phenyl-1-thiophen-2-ylethyl)propan-2-amine;hydrochloride has a molecular weight of 281.85 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-1-thiophen-2-ylethyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 3061991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).