2-anilino-2-thiophen-3-ylethanol

C12H13NOS — CID 61046971

IUPAC2-anilino-2-thiophen-3-ylethanol
SMILESOCC(Nc1ccccc1)c1ccsc1
InChIInChI=1S/C12H13NOS/c14-8-12(10-6-7-15-9-10)13-11-4-2-1-3-5-11/h1-7,9,12-14H,8H2
InChIKeyRWHULOFRZUZYKW-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.89
Rot. Bonds4

About 2-anilino-2-thiophen-3-ylethanol

2-anilino-2-thiophen-3-ylethanol (PubChem CID 61046971) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-anilino-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-anilino-2-thiophen-3-ylethanol
PubChem CID61046971
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name2-anilino-2-thiophen-3-ylethanol
SMILESOCC(Nc1ccccc1)c1ccsc1
InChIInChI=1S/C12H13NOS/c14-8-12(10-6-7-15-9-10)13-11-4-2-1-3-5-11/h1-7,9,12-14H,8H2
InChIKeyRWHULOFRZUZYKW-UHFFFAOYSA-N
XLogP2.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoroanilino)-2-thiophen-3-ylethanol
CID 61050355
N-(1-thiophen-3-ylethyl)aniline
CID 62090283
(2S)-2-anilino-2-thiophen-3-ylacetonitrile
CID 40637942
(2S)-2-[(3-chlorothiophen-2-yl)methylamino]-2-thiophen-3-ylethanol
CID 100697818
(2R)-2-phenyl-2-(thiophen-3-ylmethylamino)ethanol
CID 103766360
2-(cyclopropylmethylamino)-2-thiophen-3-ylethanol
CID 61054631
2-anilino-2-(4-propan-2-yloxyphenyl)ethanol
CID 61047340
(2-phenyl-1-thiophen-3-ylethyl)hydrazine
CID 105195136
2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 61046992
N'-(1-thiophen-3-ylbut-3-enyl)benzohydrazide
CID 139242060
1-phenyl-2-(2-thiophen-3-ylpropyl)guanidine
CID 111498176
3-chloro-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylbenzamide
CID 124854885

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-thiophen-3-ylethanol?
The IUPAC name of 2-anilino-2-thiophen-3-ylethanol (CID 61046971) is 2-anilino-2-thiophen-3-ylethanol.
What is the SMILES notation for 2-anilino-2-thiophen-3-ylethanol?
The canonical SMILES for 2-anilino-2-thiophen-3-ylethanol is OCC(Nc1ccccc1)c1ccsc1.
What is the InChIKey of 2-anilino-2-thiophen-3-ylethanol?
The InChIKey is RWHULOFRZUZYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c14-8-12(10-6-7-15-9-10)13-11-4-2-1-3-5-11/h1-7,9,12-14H,8H2.
What are the key properties of 2-anilino-2-thiophen-3-ylethanol?
2-anilino-2-thiophen-3-ylethanol has a molecular weight of 219.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-thiophen-3-ylethanol is sourced from PubChem (CID 61046971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).