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

C15H18BrNOS — CID 65187866

IUPAC3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol
SMILESCCc1ccc(C(O)C(CN)c2cccc(Br)c2)s1
InChIInChI=1S/C15H18BrNOS/c1-2-12-6-7-14(19-12)15(18)13(9-17)10-4-3-5-11(16)8-10/h3-8,13,15,18H,2,9,17H2,1H3
InChIKeyGXAZYQJALSQENE-UHFFFAOYSA-N
MW340.29 g/mol
LogP3.85
Rot. Bonds5

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

3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol (PubChem CID 65187866) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol
PubChem CID65187866
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol
SMILESCCc1ccc(C(O)C(CN)c2cccc(Br)c2)s1
InChIInChI=1S/C15H18BrNOS/c1-2-12-6-7-14(19-12)15(18)13(9-17)10-4-3-5-11(16)8-10/h3-8,13,15,18H,2,9,17H2,1H3
InChIKeyGXAZYQJALSQENE-UHFFFAOYSA-N
XLogP3.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-1-ol
CID 65187605
(3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198306
2-[(3-bromophenyl)-chloromethyl]-5-ethylthiophene
CID 63431228
3-amino-2-(3-bromophenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol
CID 80738778
3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol
CID 65187873
1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 62606304
(1R)-1-(3-bromophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine
CID 81382264
3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
CID 65187606
3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol
CID 65187815
3-amino-1-(1-benzothiophen-3-yl)-2-(3-bromophenyl)propan-1-ol
CID 65188133
3-amino-2-(3-bromophenyl)-1-(3-chloro-2-methylphenyl)propan-1-ol
CID 107100509
3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol
CID 65188028

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol (CID 65187866) is 3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol is CCc1ccc(C(O)C(CN)c2cccc(Br)c2)s1.
What is the InChIKey of 3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol?
The InChIKey is GXAZYQJALSQENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-2-12-6-7-14(19-12)15(18)13(9-17)10-4-3-5-11(16)8-10/h3-8,13,15,18H,2,9,17H2,1H3.
What are the key properties of 3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol?
3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol has a molecular weight of 340.29 g/mol, XLogP of 3.85, 5 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-ethylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 65187866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).