N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride

C16H22ClNOS — CID 3062036

IUPACN-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride
SMILESCOc1cccc(CC(NC(C)C)c2cccs2)c1.Cl
InChIInChI=1S/C16H21NOS.ClH/c1-12(2)17-15(16-8-5-9-19-16)11-13-6-4-7-14(10-13)18-3;/h4-10,12,15,17H,11H2,1-3H3;1H
InChIKeyVDXQGCZWRQDUFO-UHFFFAOYSA-N
MW311.88 g/mol
LogP4.46
Rot. Bonds6

About N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride

N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride (PubChem CID 3062036) has the molecular formula C16H22ClNOS and a molecular weight of 311.88 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride
PubChem CID3062036
Molecular FormulaC16H22ClNOS
Molecular Weight311.88 g/mol
Exact Mass311.11
IUPAC NameN-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride
SMILESCOc1cccc(CC(NC(C)C)c2cccs2)c1.Cl
InChIInChI=1S/C16H21NOS.ClH/c1-12(2)17-15(16-8-5-9-19-16)11-13-6-4-7-14(10-13)18-3;/h4-10,12,15,17H,11H2,1-3H3;1H
InChIKeyVDXQGCZWRQDUFO-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.88
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride?
The IUPAC name of N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride (CID 3062036) is N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride?
The canonical SMILES for N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride is COc1cccc(CC(NC(C)C)c2cccs2)c1.Cl.
What is the InChIKey of N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride?
The InChIKey is VDXQGCZWRQDUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS.ClH/c1-12(2)17-15(16-8-5-9-19-16)11-13-6-4-7-14(10-13)18-3;/h4-10,12,15,17H,11H2,1-3H3;1H.
What are the key properties of N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride?
N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride has a molecular weight of 311.88 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 3062036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).