2-[4-amino-N-(2-hydroxyethyl)-2-(4-methylthiophen-2-yl)anilino]ethanol

C15H20N2O2S — CID 18371662

IUPAC2-[4-amino-N-(2-hydroxyethyl)-2-(4-methylthiophen-2-yl)anilino]ethanol
SMILESCc1csc(-c2cc(N)ccc2N(CCO)CCO)c1
InChIInChI=1S/C15H20N2O2S/c1-11-8-15(20-10-11)13-9-12(16)2-3-14(13)17(4-6-18)5-7-19/h2-3,8-10,18-19H,4-7,16H2,1H3
InChIKeyFNLWDBSDTRZPGG-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.10
Rot. Bonds6

About 2-[4-amino-N-(2-hydroxyethyl)-2-(4-methylthiophen-2-yl)anilino]ethanol

2-[4-amino-N-(2-hydroxyethyl)-2-(4-methylthiophen-2-yl)anilino]ethanol (PubChem CID 18371662) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-[4-amino-N-(2-hydroxyethyl)-2-(4-methylthiophen-2-yl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-N-(2-hydroxyethyl)-2-(4-methylthiophen-2-yl)anilino]ethanol
PubChem CID18371662
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-[4-amino-N-(2-hydroxyethyl)-2-(4-methylthiophen-2-yl)anilino]ethanol
SMILESCc1csc(-c2cc(N)ccc2N(CCO)CCO)c1
InChIInChI=1S/C15H20N2O2S/c1-11-8-15(20-10-11)13-9-12(16)2-3-14(13)17(4-6-18)5-7-19/h2-3,8-10,18-19H,4-7,16H2,1H3
InChIKeyFNLWDBSDTRZPGG-UHFFFAOYSA-N
XLogP2.10
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-N-(2-hydroxyethyl)-2-(4-methylthiophen-2-yl)anilino]ethanol?
The IUPAC name of 2-[4-amino-N-(2-hydroxyethyl)-2-(4-methylthiophen-2-yl)anilino]ethanol (CID 18371662) is 2-[4-amino-N-(2-hydroxyethyl)-2-(4-methylthiophen-2-yl)anilino]ethanol.
What is the SMILES notation for 2-[4-amino-N-(2-hydroxyethyl)-2-(4-methylthiophen-2-yl)anilino]ethanol?
The canonical SMILES for 2-[4-amino-N-(2-hydroxyethyl)-2-(4-methylthiophen-2-yl)anilino]ethanol is Cc1csc(-c2cc(N)ccc2N(CCO)CCO)c1.
What is the InChIKey of 2-[4-amino-N-(2-hydroxyethyl)-2-(4-methylthiophen-2-yl)anilino]ethanol?
The InChIKey is FNLWDBSDTRZPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11-8-15(20-10-11)13-9-12(16)2-3-14(13)17(4-6-18)5-7-19/h2-3,8-10,18-19H,4-7,16H2,1H3.
What are the key properties of 2-[4-amino-N-(2-hydroxyethyl)-2-(4-methylthiophen-2-yl)anilino]ethanol?
2-[4-amino-N-(2-hydroxyethyl)-2-(4-methylthiophen-2-yl)anilino]ethanol has a molecular weight of 292.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-N-(2-hydroxyethyl)-2-(4-methylthiophen-2-yl)anilino]ethanol is sourced from PubChem (CID 18371662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).