2-(2-amino-3-methoxyanilino)-1-thiophen-3-ylethanol

C13H16N2O2S — CID 106434602

IUPAC2-(2-amino-3-methoxyanilino)-1-thiophen-3-ylethanol
SMILESCOc1cccc(NCC(O)c2ccsc2)c1N
InChIInChI=1S/C13H16N2O2S/c1-17-12-4-2-3-10(13(12)14)15-7-11(16)9-5-6-18-8-9/h2-6,8,11,15-16H,7,14H2,1H3
InChIKeyAQAGGLPCFOUBIA-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.48
Rot. Bonds5

About 2-(2-amino-3-methoxyanilino)-1-thiophen-3-ylethanol

2-(2-amino-3-methoxyanilino)-1-thiophen-3-ylethanol (PubChem CID 106434602) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(2-amino-3-methoxyanilino)-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-(2-amino-3-methoxyanilino)-1-thiophen-3-ylethanol
PubChem CID106434602
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-(2-amino-3-methoxyanilino)-1-thiophen-3-ylethanol
SMILESCOc1cccc(NCC(O)c2ccsc2)c1N
InChIInChI=1S/C13H16N2O2S/c1-17-12-4-2-3-10(13(12)14)15-7-11(16)9-5-6-18-8-9/h2-6,8,11,15-16H,7,14H2,1H3
InChIKeyAQAGGLPCFOUBIA-UHFFFAOYSA-N
XLogP2.48
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 106435613
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methoxyphenyl)urea
CID 52992664
2-[2-(2-methoxyphenoxy)ethylamino]-1-thiophen-3-ylethanol
CID 106435231
2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-thiophen-3-ylethanol
CID 103785255
2-(2-amino-5-ethoxy-4-fluoroanilino)-1-thiophen-3-ylethanol
CID 106434546
2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-thiophen-3-ylethanol
CID 75472029
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate
CID 106435089
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-methylbutanoate
CID 114188531
2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol
CID 106436357
2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103717090
2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583915
1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(1R)-1-(2-methoxyphenyl)propyl]urea
CID 97215552

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methoxyanilino)-1-thiophen-3-ylethanol?
The IUPAC name of 2-(2-amino-3-methoxyanilino)-1-thiophen-3-ylethanol (CID 106434602) is 2-(2-amino-3-methoxyanilino)-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-(2-amino-3-methoxyanilino)-1-thiophen-3-ylethanol?
The canonical SMILES for 2-(2-amino-3-methoxyanilino)-1-thiophen-3-ylethanol is COc1cccc(NCC(O)c2ccsc2)c1N.
What is the InChIKey of 2-(2-amino-3-methoxyanilino)-1-thiophen-3-ylethanol?
The InChIKey is AQAGGLPCFOUBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-17-12-4-2-3-10(13(12)14)15-7-11(16)9-5-6-18-8-9/h2-6,8,11,15-16H,7,14H2,1H3.
What are the key properties of 2-(2-amino-3-methoxyanilino)-1-thiophen-3-ylethanol?
2-(2-amino-3-methoxyanilino)-1-thiophen-3-ylethanol has a molecular weight of 264.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methoxyanilino)-1-thiophen-3-ylethanol is sourced from PubChem (CID 106434602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).