N,N-dimethyl-1-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine;hydrochloride

C16H22ClNOS — CID 175823186

IUPACN,N-dimethyl-1-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine;hydrochloride
SMILESCCC(Oc1ccc(C)cc1)(c1cccs1)N(C)C.Cl
InChIInChI=1S/C16H21NOS.ClH/c1-5-16(17(3)4,15-7-6-12-19-15)18-14-10-8-13(2)9-11-14;/h6-12H,5H2,1-4H3;1H
InChIKeyLIIZPTTWVXSHTO-UHFFFAOYSA-N
MW311.88 g/mol
LogP4.68
Rot. Bonds5

About N,N-dimethyl-1-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine;hydrochloride

N,N-dimethyl-1-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine;hydrochloride (PubChem CID 175823186) has the molecular formula C16H22ClNOS and a molecular weight of 311.88 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine;hydrochloride
PubChem CID175823186
Molecular FormulaC16H22ClNOS
Molecular Weight311.88 g/mol
Exact Mass311.11
IUPAC NameN,N-dimethyl-1-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine;hydrochloride
SMILESCCC(Oc1ccc(C)cc1)(c1cccs1)N(C)C.Cl
InChIInChI=1S/C16H21NOS.ClH/c1-5-16(17(3)4,15-7-6-12-19-15)18-14-10-8-13(2)9-11-14;/h6-12H,5H2,1-4H3;1H
InChIKeyLIIZPTTWVXSHTO-UHFFFAOYSA-N
XLogP4.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.88
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N,N-dimethyl-1-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine;hydrochloride (CID 175823186) is N,N-dimethyl-1-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine;hydrochloride is CCC(Oc1ccc(C)cc1)(c1cccs1)N(C)C.Cl.
What is the InChIKey of N,N-dimethyl-1-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine;hydrochloride?
The InChIKey is LIIZPTTWVXSHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS.ClH/c1-5-16(17(3)4,15-7-6-12-19-15)18-14-10-8-13(2)9-11-14;/h6-12H,5H2,1-4H3;1H.
What are the key properties of N,N-dimethyl-1-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine;hydrochloride?
N,N-dimethyl-1-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine;hydrochloride has a molecular weight of 311.88 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 175823186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).