1-(3-bromothiophen-2-yl)-2-methyl-3-(propylamino)propan-2-ol

C11H18BrNOS — CID 66039628

IUPAC1-(3-bromothiophen-2-yl)-2-methyl-3-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)Cc1sccc1Br
InChIInChI=1S/C11H18BrNOS/c1-3-5-13-8-11(2,14)7-10-9(12)4-6-15-10/h4,6,13-14H,3,5,7-8H2,1-2H3
InChIKeyQECCZLVQXOZJQZ-UHFFFAOYSA-N
MW292.24 g/mol
LogP2.80
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-2-methyl-3-(propylamino)propan-2-ol

1-(3-bromothiophen-2-yl)-2-methyl-3-(propylamino)propan-2-ol (PubChem CID 66039628) has the molecular formula C11H18BrNOS and a molecular weight of 292.24 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-methyl-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-methyl-3-(propylamino)propan-2-ol
PubChem CID66039628
Molecular FormulaC11H18BrNOS
Molecular Weight292.24 g/mol
Exact Mass291.03
IUPAC Name1-(3-bromothiophen-2-yl)-2-methyl-3-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)Cc1sccc1Br
InChIInChI=1S/C11H18BrNOS/c1-3-5-13-8-11(2,14)7-10-9(12)4-6-15-10/h4,6,13-14H,3,5,7-8H2,1-2H3
InChIKeyQECCZLVQXOZJQZ-UHFFFAOYSA-N
XLogP2.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromothiophen-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66039885
3-(3-bromothiophen-2-yl)-N-propylpropan-1-amine
CID 62530405
2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol
CID 66037007
2-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 55111248
2-benzyl-1-(3-bromothiophen-2-yl)butan-2-ol
CID 79007567
3-[[(3-bromothiophen-2-yl)methylamino]methyl]pentan-3-ol
CID 65111901
2-[(3-bromothiophen-2-yl)methyl]-2-methylpropane-1,3-diol
CID 79450444
1-(3-bromothiophen-2-yl)-2-phenylpropan-2-ol
CID 65147917
2-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150001
4-(3-bromothiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 81022935
3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 65431914
3-(3-bromothiophen-2-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 62725350

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-methyl-3-(propylamino)propan-2-ol?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-methyl-3-(propylamino)propan-2-ol (CID 66039628) is 1-(3-bromothiophen-2-yl)-2-methyl-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-methyl-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-methyl-3-(propylamino)propan-2-ol is CCCNCC(C)(O)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-methyl-3-(propylamino)propan-2-ol?
The InChIKey is QECCZLVQXOZJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNOS/c1-3-5-13-8-11(2,14)7-10-9(12)4-6-15-10/h4,6,13-14H,3,5,7-8H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-methyl-3-(propylamino)propan-2-ol?
1-(3-bromothiophen-2-yl)-2-methyl-3-(propylamino)propan-2-ol has a molecular weight of 292.24 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-methyl-3-(propylamino)propan-2-ol is sourced from PubChem (CID 66039628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).