2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine;hydrochloride

C16H22ClNOS — CID 11957322

IUPAC2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine;hydrochloride
SMILESCC(C)(C)NCc1ccccc1OCc1cccs1.Cl
InChIInChI=1S/C16H21NOS.ClH/c1-16(2,3)17-11-13-7-4-5-9-15(13)18-12-14-8-6-10-19-14;/h4-10,17H,11-12H2,1-3H3;1H
InChIKeyADMFLIUQABQVOH-UHFFFAOYSA-N
MW311.88 g/mol
LogP4.64
Rot. Bonds5

About 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine;hydrochloride

2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine;hydrochloride (PubChem CID 11957322) has the molecular formula C16H22ClNOS and a molecular weight of 311.88 g/mol. Its IUPAC name is 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine;hydrochloride
PubChem CID11957322
Molecular FormulaC16H22ClNOS
Molecular Weight311.88 g/mol
Exact Mass311.11
IUPAC Name2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine;hydrochloride
SMILESCC(C)(C)NCc1ccccc1OCc1cccs1.Cl
InChIInChI=1S/C16H21NOS.ClH/c1-16(2,3)17-11-13-7-4-5-9-15(13)18-12-14-8-6-10-19-14;/h4-10,17H,11-12H2,1-3H3;1H
InChIKeyADMFLIUQABQVOH-UHFFFAOYSA-N
XLogP4.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.88
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine;hydrochloride?
The IUPAC name of 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine;hydrochloride (CID 11957322) is 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine;hydrochloride.
What is the SMILES notation for 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine;hydrochloride?
The canonical SMILES for 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine;hydrochloride is CC(C)(C)NCc1ccccc1OCc1cccs1.Cl.
What is the InChIKey of 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine;hydrochloride?
The InChIKey is ADMFLIUQABQVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS.ClH/c1-16(2,3)17-11-13-7-4-5-9-15(13)18-12-14-8-6-10-19-14;/h4-10,17H,11-12H2,1-3H3;1H.
What are the key properties of 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine;hydrochloride?
2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine;hydrochloride has a molecular weight of 311.88 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 11957322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).