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

C10H17ClN2OS — CID 115120936

IUPAC2-amino-3-[2-(5-chlorothiophen-2-yl)ethyl-methylamino]propan-1-ol
SMILESCN(CCc1ccc(Cl)s1)CC(N)CO
InChIInChI=1S/C10H17ClN2OS/c1-13(6-8(12)7-14)5-4-9-2-3-10(11)15-9/h2-3,8,14H,4-7,12H2,1H3
InChIKeyIHZLUKPKIAZORR-UHFFFAOYSA-N
MW248.78 g/mol
LogP1.20
Rot. Bonds6

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

2-amino-3-[2-(5-chlorothiophen-2-yl)ethyl-methylamino]propan-1-ol (PubChem CID 115120936) has the molecular formula C10H17ClN2OS and a molecular weight of 248.78 g/mol. Its IUPAC name is 2-amino-3-[2-(5-chlorothiophen-2-yl)ethyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[2-(5-chlorothiophen-2-yl)ethyl-methylamino]propan-1-ol
PubChem CID115120936
Molecular FormulaC10H17ClN2OS
Molecular Weight248.78 g/mol
Exact Mass248.08
IUPAC Name2-amino-3-[2-(5-chlorothiophen-2-yl)ethyl-methylamino]propan-1-ol
SMILESCN(CCc1ccc(Cl)s1)CC(N)CO
InChIInChI=1S/C10H17ClN2OS/c1-13(6-8(12)7-14)5-4-9-2-3-10(11)15-9/h2-3,8,14H,4-7,12H2,1H3
InChIKeyIHZLUKPKIAZORR-UHFFFAOYSA-N
XLogP1.20
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.78
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120093
N'-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methylmethanediamine
CID 115226192
2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride
CID 170891756
2-amino-3-[methyl-[2-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 115120911
4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol
CID 64665033
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxy-N-methylpropanamide
CID 115139413
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide
CID 115180056
4-(5-chlorothiophen-2-yl)butane-1,2-diol
CID 83934930
2-amino-3-[2-(1-benzofuran-3-yl)ethyl-methylamino]propan-1-ol
CID 115120994
4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol
CID 83934932
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(5-chlorothiophen-2-yl)ethyl-methylamino]propan-1-ol?
The IUPAC name of 2-amino-3-[2-(5-chlorothiophen-2-yl)ethyl-methylamino]propan-1-ol (CID 115120936) is 2-amino-3-[2-(5-chlorothiophen-2-yl)ethyl-methylamino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[2-(5-chlorothiophen-2-yl)ethyl-methylamino]propan-1-ol?
The canonical SMILES for 2-amino-3-[2-(5-chlorothiophen-2-yl)ethyl-methylamino]propan-1-ol is CN(CCc1ccc(Cl)s1)CC(N)CO.
What is the InChIKey of 2-amino-3-[2-(5-chlorothiophen-2-yl)ethyl-methylamino]propan-1-ol?
The InChIKey is IHZLUKPKIAZORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2OS/c1-13(6-8(12)7-14)5-4-9-2-3-10(11)15-9/h2-3,8,14H,4-7,12H2,1H3.
What are the key properties of 2-amino-3-[2-(5-chlorothiophen-2-yl)ethyl-methylamino]propan-1-ol?
2-amino-3-[2-(5-chlorothiophen-2-yl)ethyl-methylamino]propan-1-ol has a molecular weight of 248.78 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(5-chlorothiophen-2-yl)ethyl-methylamino]propan-1-ol is sourced from PubChem (CID 115120936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).