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

C15H21ClN2S — CID 45261407

IUPAC2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride
SMILESCCNC(Cc1ccccc1N)c1sccc1C.Cl
InChIInChI=1S/C15H20N2S.ClH/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;1H
InChIKeyDJTNDPNDMWWAOK-UHFFFAOYSA-N
MW296.87 g/mol
LogP3.95
Rot. Bonds5

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

2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride (PubChem CID 45261407) has the molecular formula C15H21ClN2S and a molecular weight of 296.87 g/mol. Its IUPAC name is 2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride.

Molecular Properties

Compound Name2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride
PubChem CID45261407
Molecular FormulaC15H21ClN2S
Molecular Weight296.87 g/mol
Exact Mass296.11
IUPAC Name2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride
SMILESCCNC(Cc1ccccc1N)c1sccc1C.Cl
InChIInChI=1S/C15H20N2S.ClH/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;1H
InChIKeyDJTNDPNDMWWAOK-UHFFFAOYSA-N
XLogP3.95
TPSA38.05 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 ≤ 53.95
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;hydrochloride?
The IUPAC name of 2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride (CID 45261407) is 2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride.
What is the SMILES notation for 2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride?
The canonical SMILES for 2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride is CCNC(Cc1ccccc1N)c1sccc1C.Cl.
What is the InChIKey of 2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride?
The InChIKey is DJTNDPNDMWWAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S.ClH/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;1H.
What are the key properties of 2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride?
2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride has a molecular weight of 296.87 g/mol, XLogP of 3.95, 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;hydrochloride is sourced from PubChem (CID 45261407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).