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

C14H19ClN2S — CID 45261385

IUPAC2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride
SMILESCNC(Cc1ccccc1N)c1sccc1C.Cl
InChIInChI=1S/C14H18N2S.ClH/c1-10-7-8-17-14(10)13(16-2)9-11-5-3-4-6-12(11)15;/h3-8,13,16H,9,15H2,1-2H3;1H
InChIKeyICYRIZHHSWFAGT-UHFFFAOYSA-N
MW282.84 g/mol
LogP3.56
Rot. Bonds4

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

2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride (PubChem CID 45261385) has the molecular formula C14H19ClN2S and a molecular weight of 282.84 g/mol. Its IUPAC name is 2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride.

Molecular Properties

Compound Name2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride
PubChem CID45261385
Molecular FormulaC14H19ClN2S
Molecular Weight282.84 g/mol
Exact Mass282.10
IUPAC Name2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride
SMILESCNC(Cc1ccccc1N)c1sccc1C.Cl
InChIInChI=1S/C14H18N2S.ClH/c1-10-7-8-17-14(10)13(16-2)9-11-5-3-4-6-12(11)15;/h3-8,13,16H,9,15H2,1-2H3;1H
InChIKeyICYRIZHHSWFAGT-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.84
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride?
The IUPAC name of 2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride (CID 45261385) is 2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride.
What is the SMILES notation for 2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride?
The canonical SMILES for 2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride is CNC(Cc1ccccc1N)c1sccc1C.Cl.
What is the InChIKey of 2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride?
The InChIKey is ICYRIZHHSWFAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S.ClH/c1-10-7-8-17-14(10)13(16-2)9-11-5-3-4-6-12(11)15;/h3-8,13,16H,9,15H2,1-2H3;1H.
What are the key properties of 2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride?
2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride has a molecular weight of 282.84 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride is sourced from PubChem (CID 45261385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).