1-amino-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol

C8H13BrN2OS — CID 115121348

IUPAC1-amino-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol
SMILESNCC(O)CNCc1ccc(Br)s1
InChIInChI=1S/C8H13BrN2OS/c9-8-2-1-7(13-8)5-11-4-6(12)3-10/h1-2,6,11-12H,3-5,10H2
InChIKeyWAZLZLUELWHWMR-UHFFFAOYSA-N
MW265.18 g/mol
LogP0.92
Rot. Bonds5

About 1-amino-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol

1-amino-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol (PubChem CID 115121348) has the molecular formula C8H13BrN2OS and a molecular weight of 265.18 g/mol. Its IUPAC name is 1-amino-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol
PubChem CID115121348
Molecular FormulaC8H13BrN2OS
Molecular Weight265.18 g/mol
Exact Mass263.99
IUPAC Name1-amino-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol
SMILESNCC(O)CNCc1ccc(Br)s1
InChIInChI=1S/C8H13BrN2OS/c9-8-2-1-7(13-8)5-11-4-6(12)3-10/h1-2,6,11-12H,3-5,10H2
InChIKeyWAZLZLUELWHWMR-UHFFFAOYSA-N
XLogP0.92
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-amino-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-[(5-bromothiophen-2-yl)methylamino]propane-1,2-diol
CID 61149712
methyl 4-[(5-bromothiophen-2-yl)methylamino]-3-hydroxybutanoate
CID 115123338
1-[(5-bromothiophen-2-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 60744071
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
1-(4-bromophenoxy)-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol
CID 60744441
1-[(5-bromothiophen-2-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60743812
1-[(5-bromothiophen-2-yl)methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol
CID 60744187
methyl 2-bromo-3-[(5-bromothiophen-2-yl)methylamino]propanoate
CID 103241115
1-[(5-bromothiophen-2-yl)methylamino]-3-(2-butoxyethoxy)propan-2-ol
CID 60743700
methyl 3-[(5-bromothiophen-2-yl)methylamino]-2-chloropropanoate
CID 103491806
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63983195
2-[(5-bromothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol
CID 60743964

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1-amino-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol (CID 115121348) is 1-amino-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-amino-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol is NCC(O)CNCc1ccc(Br)s1.
What is the InChIKey of 1-amino-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol?
The InChIKey is WAZLZLUELWHWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2OS/c9-8-2-1-7(13-8)5-11-4-6(12)3-10/h1-2,6,11-12H,3-5,10H2.
What are the key properties of 1-amino-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol?
1-amino-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol has a molecular weight of 265.18 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 115121348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).