2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline

C15H20N2S — CID 3035610

IUPAC2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline
SMILESCCNC(Cc1ccccc1N)c1sccc1C
InChIInChI=1S/C15H20N2S/c1-3-17-14(15-11(2)8-9-18-15)10-12-6-4-5-7-13(12)16/h4-9,14,17H,3,10,16H2,1-2H3
InChIKeyTZBFFNOXAYRULF-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.53
Rot. Bonds5

About 2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline

2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline (PubChem CID 3035610) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline
PubChem CID3035610
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline
SMILESCCNC(Cc1ccccc1N)c1sccc1C
InChIInChI=1S/C15H20N2S/c1-3-17-14(15-11(2)8-9-18-15)10-12-6-4-5-7-13(12)16/h4-9,14,17H,3,10,16H2,1-2H3
InChIKeyTZBFFNOXAYRULF-UHFFFAOYSA-N
XLogP3.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.53
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-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline?
The IUPAC name of 2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline (CID 3035610) is 2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline?
The canonical SMILES for 2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline is CCNC(Cc1ccccc1N)c1sccc1C.
What is the InChIKey of 2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline?
The InChIKey is TZBFFNOXAYRULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-17-14(15-11(2)8-9-18-15)10-12-6-4-5-7-13(12)16/h4-9,14,17H,3,10,16H2,1-2H3.
What are the key properties of 2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline?
2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline has a molecular weight of 260.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 3035610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).