2-[2-(methylamino)-2-(5-methylthiophen-2-yl)ethyl]aniline

C14H18N2S — CID 11776690

IUPAC2-[2-(methylamino)-2-(5-methylthiophen-2-yl)ethyl]aniline
SMILESCNC(Cc1ccccc1N)c1ccc(C)s1
InChIInChI=1S/C14H18N2S/c1-10-7-8-14(17-10)13(16-2)9-11-5-3-4-6-12(11)15/h3-8,13,16H,9,15H2,1-2H3
InChIKeyMUZDTHXTSXTYCK-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.14
Rot. Bonds4

About 2-[2-(methylamino)-2-(5-methylthiophen-2-yl)ethyl]aniline

2-[2-(methylamino)-2-(5-methylthiophen-2-yl)ethyl]aniline (PubChem CID 11776690) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-[2-(methylamino)-2-(5-methylthiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(methylamino)-2-(5-methylthiophen-2-yl)ethyl]aniline
PubChem CID11776690
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name2-[2-(methylamino)-2-(5-methylthiophen-2-yl)ethyl]aniline
SMILESCNC(Cc1ccccc1N)c1ccc(C)s1
InChIInChI=1S/C14H18N2S/c1-10-7-8-14(17-10)13(16-2)9-11-5-3-4-6-12(11)15/h3-8,13,16H,9,15H2,1-2H3
InChIKeyMUZDTHXTSXTYCK-UHFFFAOYSA-N
XLogP3.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.14
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-(5-methylthiophen-2-yl)ethyl]aniline?
The IUPAC name of 2-[2-(methylamino)-2-(5-methylthiophen-2-yl)ethyl]aniline (CID 11776690) is 2-[2-(methylamino)-2-(5-methylthiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 2-[2-(methylamino)-2-(5-methylthiophen-2-yl)ethyl]aniline?
The canonical SMILES for 2-[2-(methylamino)-2-(5-methylthiophen-2-yl)ethyl]aniline is CNC(Cc1ccccc1N)c1ccc(C)s1.
What is the InChIKey of 2-[2-(methylamino)-2-(5-methylthiophen-2-yl)ethyl]aniline?
The InChIKey is MUZDTHXTSXTYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-7-8-14(17-10)13(16-2)9-11-5-3-4-6-12(11)15/h3-8,13,16H,9,15H2,1-2H3.
What are the key properties of 2-[2-(methylamino)-2-(5-methylthiophen-2-yl)ethyl]aniline?
2-[2-(methylamino)-2-(5-methylthiophen-2-yl)ethyl]aniline has a molecular weight of 246.38 g/mol, XLogP of 3.14, 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-(5-methylthiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 11776690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).