3-amino-2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-1-ol

C13H13BrClNOS — CID 65187605

IUPAC3-amino-2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-1-ol
SMILESNCC(c1cccc(Br)c1)C(O)c1ccc(Cl)s1
InChIInChI=1S/C13H13BrClNOS/c14-9-3-1-2-8(6-9)10(7-16)13(17)11-4-5-12(15)18-11/h1-6,10,13,17H,7,16H2
InChIKeyYLTFMZZERIHJKD-UHFFFAOYSA-N
MW346.68 g/mol
LogP3.94
Rot. Bonds4

About 3-amino-2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-1-ol

3-amino-2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-1-ol (PubChem CID 65187605) has the molecular formula C13H13BrClNOS and a molecular weight of 346.68 g/mol. Its IUPAC name is 3-amino-2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-1-ol
PubChem CID65187605
Molecular FormulaC13H13BrClNOS
Molecular Weight346.68 g/mol
Exact Mass344.96
IUPAC Name3-amino-2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-1-ol
SMILESNCC(c1cccc(Br)c1)C(O)c1ccc(Cl)s1
InChIInChI=1S/C13H13BrClNOS/c14-9-3-1-2-8(6-9)10(7-16)13(17)11-4-5-12(15)18-11/h1-6,10,13,17H,7,16H2
InChIKeyYLTFMZZERIHJKD-UHFFFAOYSA-N
XLogP3.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.68
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-amino-2-(3-bromophenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol
CID 80738778
3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol
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3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol
CID 65188081
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3-amino-2-(3-bromophenyl)-1-(2,6-difluorophenyl)propan-1-ol
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3-amino-1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190290
3-amino-1-(1-benzothiophen-3-yl)-2-(3-bromophenyl)propan-1-ol
CID 65188133
3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
CID 65187606
3-amino-1-(5-chlorothiophen-2-yl)-2-pyridin-2-ylpropan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-1-ol (CID 65187605) is 3-amino-2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-1-ol is NCC(c1cccc(Br)c1)C(O)c1ccc(Cl)s1.
What is the InChIKey of 3-amino-2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-1-ol?
The InChIKey is YLTFMZZERIHJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNOS/c14-9-3-1-2-8(6-9)10(7-16)13(17)11-4-5-12(15)18-11/h1-6,10,13,17H,7,16H2.
What are the key properties of 3-amino-2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-1-ol?
3-amino-2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-1-ol has a molecular weight of 346.68 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-1-ol is sourced from PubChem (CID 65187605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).