2-(2-propan-2-ylanilino)-1-thiophen-2-ylethanol

C15H19NOS — CID 60896734

IUPAC2-(2-propan-2-ylanilino)-1-thiophen-2-ylethanol
SMILESCC(C)c1ccccc1NCC(O)c1cccs1
InChIInChI=1S/C15H19NOS/c1-11(2)12-6-3-4-7-13(12)16-10-14(17)15-8-5-9-18-15/h3-9,11,14,16-17H,10H2,1-2H3
InChIKeyKHTOWIRQQOMVQK-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.02
Rot. Bonds5

About 2-(2-propan-2-ylanilino)-1-thiophen-2-ylethanol

2-(2-propan-2-ylanilino)-1-thiophen-2-ylethanol (PubChem CID 60896734) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-(2-propan-2-ylanilino)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(2-propan-2-ylanilino)-1-thiophen-2-ylethanol
PubChem CID60896734
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name2-(2-propan-2-ylanilino)-1-thiophen-2-ylethanol
SMILESCC(C)c1ccccc1NCC(O)c1cccs1
InChIInChI=1S/C15H19NOS/c1-11(2)12-6-3-4-7-13(12)16-10-14(17)15-8-5-9-18-15/h3-9,11,14,16-17H,10H2,1-2H3
InChIKeyKHTOWIRQQOMVQK-UHFFFAOYSA-N
XLogP4.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2-methylanilino)-1-thiophen-2-ylethanol
CID 107633618
2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol
CID 60896334
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
2-(3-propan-2-ylanilino)-1-thiophen-2-ylethanol
CID 60899443
N-(2,3-dimethylbutyl)-2-propan-2-ylaniline
CID 150228795
2-(4-methoxy-2-methylanilino)-1-thiophen-2-ylethanol
CID 62871696
N'-(2-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 54808025
2-(4-methylsulfonylanilino)-1-thiophen-2-ylethanol
CID 60898378
(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride
CID 158304754
2-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylethanol
CID 60898689
2-[(2-methylpropan-2-yl)oxyamino]-1-thiophen-2-ylethanol
CID 82724870

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylanilino)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(2-propan-2-ylanilino)-1-thiophen-2-ylethanol (CID 60896734) is 2-(2-propan-2-ylanilino)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(2-propan-2-ylanilino)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(2-propan-2-ylanilino)-1-thiophen-2-ylethanol is CC(C)c1ccccc1NCC(O)c1cccs1.
What is the InChIKey of 2-(2-propan-2-ylanilino)-1-thiophen-2-ylethanol?
The InChIKey is KHTOWIRQQOMVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-11(2)12-6-3-4-7-13(12)16-10-14(17)15-8-5-9-18-15/h3-9,11,14,16-17H,10H2,1-2H3.
What are the key properties of 2-(2-propan-2-ylanilino)-1-thiophen-2-ylethanol?
2-(2-propan-2-ylanilino)-1-thiophen-2-ylethanol has a molecular weight of 261.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylanilino)-1-thiophen-2-ylethanol is sourced from PubChem (CID 60896734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).