3-amino-1-(1-benzothiophen-3-yl)-2-(3-bromophenyl)propan-1-ol

C17H16BrNOS — CID 65188133

IUPAC3-amino-1-(1-benzothiophen-3-yl)-2-(3-bromophenyl)propan-1-ol
SMILESNCC(c1cccc(Br)c1)C(O)c1csc2ccccc12
InChIInChI=1S/C17H16BrNOS/c18-12-5-3-4-11(8-12)14(9-19)17(20)15-10-21-16-7-2-1-6-13(15)16/h1-8,10,14,17,20H,9,19H2
InChIKeyWSEAUIVWQZPLCR-UHFFFAOYSA-N
MW362.29 g/mol
LogP4.44
Rot. Bonds4

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

3-amino-1-(1-benzothiophen-3-yl)-2-(3-bromophenyl)propan-1-ol (PubChem CID 65188133) has the molecular formula C17H16BrNOS and a molecular weight of 362.29 g/mol. Its IUPAC name is 3-amino-1-(1-benzothiophen-3-yl)-2-(3-bromophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(1-benzothiophen-3-yl)-2-(3-bromophenyl)propan-1-ol
PubChem CID65188133
Molecular FormulaC17H16BrNOS
Molecular Weight362.29 g/mol
Exact Mass361.01
IUPAC Name3-amino-1-(1-benzothiophen-3-yl)-2-(3-bromophenyl)propan-1-ol
SMILESNCC(c1cccc(Br)c1)C(O)c1csc2ccccc12
InChIInChI=1S/C17H16BrNOS/c18-12-5-3-4-11(8-12)14(9-19)17(20)15-10-21-16-7-2-1-6-13(15)16/h1-8,10,14,17,20H,9,19H2
InChIKeyWSEAUIVWQZPLCR-UHFFFAOYSA-N
XLogP4.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(1-benzothiophen-3-yl)-2-(3-chlorophenyl)propan-1-ol
CID 65186614
3-amino-2-(3-bromophenyl)-1-(3-chloro-4-methylthiophen-2-yl)propan-1-ol
CID 103406638
3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol
CID 65187815
3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol
CID 65187873
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CID 65187606
3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
CID 60733920
3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol
CID 65188081
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
3-amino-2-(3-bromophenyl)-1-(3-chloro-2-methylphenyl)propan-1-ol
CID 107100509
3-amino-2-(3-bromophenyl)-1-(2,6-difluorophenyl)propan-1-ol
CID 65188287
3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol
CID 65188028
3-amino-2-(3-bromophenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol
CID 80738778

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-benzothiophen-3-yl)-2-(3-bromophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(1-benzothiophen-3-yl)-2-(3-bromophenyl)propan-1-ol (CID 65188133) is 3-amino-1-(1-benzothiophen-3-yl)-2-(3-bromophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(1-benzothiophen-3-yl)-2-(3-bromophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(1-benzothiophen-3-yl)-2-(3-bromophenyl)propan-1-ol is NCC(c1cccc(Br)c1)C(O)c1csc2ccccc12.
What is the InChIKey of 3-amino-1-(1-benzothiophen-3-yl)-2-(3-bromophenyl)propan-1-ol?
The InChIKey is WSEAUIVWQZPLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNOS/c18-12-5-3-4-11(8-12)14(9-19)17(20)15-10-21-16-7-2-1-6-13(15)16/h1-8,10,14,17,20H,9,19H2.
What are the key properties of 3-amino-1-(1-benzothiophen-3-yl)-2-(3-bromophenyl)propan-1-ol?
3-amino-1-(1-benzothiophen-3-yl)-2-(3-bromophenyl)propan-1-ol has a molecular weight of 362.29 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-benzothiophen-3-yl)-2-(3-bromophenyl)propan-1-ol is sourced from PubChem (CID 65188133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).