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

C16H22ClNS — CID 3062028

IUPACN-[2-(3-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride
SMILESCc1cccc(CC(NC(C)C)c2cccs2)c1.Cl
InChIInChI=1S/C16H21NS.ClH/c1-12(2)17-15(16-8-5-9-18-16)11-14-7-4-6-13(3)10-14;/h4-10,12,15,17H,11H2,1-3H3;1H
InChIKeyJZGDBNAYXROSDO-UHFFFAOYSA-N
MW295.88 g/mol
LogP4.76
Rot. Bonds5

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

N-[2-(3-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride (PubChem CID 3062028) has the molecular formula C16H22ClNS and a molecular weight of 295.88 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride
PubChem CID3062028
Molecular FormulaC16H22ClNS
Molecular Weight295.88 g/mol
Exact Mass295.12
IUPAC NameN-[2-(3-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride
SMILESCc1cccc(CC(NC(C)C)c2cccs2)c1.Cl
InChIInChI=1S/C16H21NS.ClH/c1-12(2)17-15(16-8-5-9-18-16)11-14-7-4-6-13(3)10-14;/h4-10,12,15,17H,11H2,1-3H3;1H
InChIKeyJZGDBNAYXROSDO-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.88
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride?
The IUPAC name of N-[2-(3-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride (CID 3062028) is N-[2-(3-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-[2-(3-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride?
The canonical SMILES for N-[2-(3-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride is Cc1cccc(CC(NC(C)C)c2cccs2)c1.Cl.
What is the InChIKey of N-[2-(3-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride?
The InChIKey is JZGDBNAYXROSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS.ClH/c1-12(2)17-15(16-8-5-9-18-16)11-14-7-4-6-13(3)10-14;/h4-10,12,15,17H,11H2,1-3H3;1H.
What are the key properties of N-[2-(3-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride?
N-[2-(3-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride has a molecular weight of 295.88 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 3062028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).