N-methyl-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride

C15H21ClN2S — CID 45261408

IUPACN-methyl-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride
SMILESCNc1ccccc1CC(NC)c1sccc1C.Cl
InChIInChI=1S/C15H20N2S.ClH/c1-11-8-9-18-15(11)14(17-3)10-12-6-4-5-7-13(12)16-2;/h4-9,14,16-17H,10H2,1-3H3;1H
InChIKeyLQBMDPLHEOGGJA-UHFFFAOYSA-N
MW296.87 g/mol
LogP4.02
Rot. Bonds5

About N-methyl-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride

N-methyl-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride (PubChem CID 45261408) has the molecular formula C15H21ClN2S and a molecular weight of 296.87 g/mol. Its IUPAC name is N-methyl-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride
PubChem CID45261408
Molecular FormulaC15H21ClN2S
Molecular Weight296.87 g/mol
Exact Mass296.11
IUPAC NameN-methyl-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride
SMILESCNc1ccccc1CC(NC)c1sccc1C.Cl
InChIInChI=1S/C15H20N2S.ClH/c1-11-8-9-18-15(11)14(17-3)10-12-6-4-5-7-13(12)16-2;/h4-9,14,16-17H,10H2,1-3H3;1H
InChIKeyLQBMDPLHEOGGJA-UHFFFAOYSA-N
XLogP4.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.87
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride?
The IUPAC name of N-methyl-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride (CID 45261408) is N-methyl-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride.
What is the SMILES notation for N-methyl-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride?
The canonical SMILES for N-methyl-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride is CNc1ccccc1CC(NC)c1sccc1C.Cl.
What is the InChIKey of N-methyl-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride?
The InChIKey is LQBMDPLHEOGGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S.ClH/c1-11-8-9-18-15(11)14(17-3)10-12-6-4-5-7-13(12)16-2;/h4-9,14,16-17H,10H2,1-3H3;1H.
What are the key properties of N-methyl-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride?
N-methyl-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride has a molecular weight of 296.87 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride is sourced from PubChem (CID 45261408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).