3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol

C14H16ClNO2S — CID 65190060

IUPAC3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
SMILESCOc1ccc(Cl)cc1C(CN)C(O)c1cccs1
InChIInChI=1S/C14H16ClNO2S/c1-18-12-5-4-9(15)7-10(12)11(8-16)14(17)13-3-2-6-19-13/h2-7,11,14,17H,8,16H2,1H3
InChIKeyGDRUGYXVRCHEGY-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.19
Rot. Bonds5

About 3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol

3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol (PubChem CID 65190060) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is 3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
PubChem CID65190060
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC Name3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
SMILESCOc1ccc(Cl)cc1C(CN)C(O)c1cccs1
InChIInChI=1S/C14H16ClNO2S/c1-18-12-5-4-9(15)7-10(12)11(8-16)14(17)13-3-2-6-19-13/h2-7,11,14,17H,8,16H2,1H3
InChIKeyGDRUGYXVRCHEGY-UHFFFAOYSA-N
XLogP3.19
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65190276
3-amino-2-(5-chloro-2-methoxyphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65190567
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 65190720
4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol
CID 65190623
3-amino-1-(5-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525686
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)propan-1-ol
CID 79086034
4-amino-3-(5-chloro-2-methoxyphenyl)-1-cyclopropylbutan-2-ol
CID 65189958
1-amino-2-(5-chloro-2-methoxyphenyl)octan-3-ol
CID 65190622
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65189959
2-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylethanol
CID 60898689
3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189371
3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189679

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol (CID 65190060) is 3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol is COc1ccc(Cl)cc1C(CN)C(O)c1cccs1.
What is the InChIKey of 3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol?
The InChIKey is GDRUGYXVRCHEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S/c1-18-12-5-4-9(15)7-10(12)11(8-16)14(17)13-3-2-6-19-13/h2-7,11,14,17H,8,16H2,1H3.
What are the key properties of 3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol?
3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol has a molecular weight of 297.81 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 65190060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).