2-[(2,5-dichlorothiophen-3-yl)methylamino]propan-1-ol

C8H11Cl2NOS — CID 107961535

IUPAC2-[(2,5-dichlorothiophen-3-yl)methylamino]propan-1-ol
SMILESCC(CO)NCc1cc(Cl)sc1Cl
InChIInChI=1S/C8H11Cl2NOS/c1-5(4-12)11-3-6-2-7(9)13-8(6)10/h2,5,11-12H,3-4H2,1H3
InChIKeyDLXIRNFUYNVVBD-UHFFFAOYSA-N
MW240.15 g/mol
LogP2.53
Rot. Bonds4

About 2-[(2,5-dichlorothiophen-3-yl)methylamino]propan-1-ol

2-[(2,5-dichlorothiophen-3-yl)methylamino]propan-1-ol (PubChem CID 107961535) has the molecular formula C8H11Cl2NOS and a molecular weight of 240.15 g/mol. Its IUPAC name is 2-[(2,5-dichlorothiophen-3-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(2,5-dichlorothiophen-3-yl)methylamino]propan-1-ol
PubChem CID107961535
Molecular FormulaC8H11Cl2NOS
Molecular Weight240.15 g/mol
Exact Mass238.99
IUPAC Name2-[(2,5-dichlorothiophen-3-yl)methylamino]propan-1-ol
SMILESCC(CO)NCc1cc(Cl)sc1Cl
InChIInChI=1S/C8H11Cl2NOS/c1-5(4-12)11-3-6-2-7(9)13-8(6)10/h2,5,11-12H,3-4H2,1H3
InChIKeyDLXIRNFUYNVVBD-UHFFFAOYSA-N
XLogP2.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.15
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2,5-dichlorothiophen-3-yl)methylamino]propan-1-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

N-[(2,5-dichlorothiophen-3-yl)methyl]hydroxylamine
CID 131048910
(2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol
CID 93082944
2-[(2-chloro-5-fluorophenyl)methylamino]propan-1-ol
CID 102615479
N-[(2,5-dichlorothiophen-3-yl)methyl]-2-hydroxyacetamide
CID 130682625
2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-4,5-dimethylphenol
CID 103698714
(2R)-2-[[2-(3-chlorophenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol
CID 166242585
(2,5-dichlorothiophen-3-yl)methylhydrazine;hydrochloride
CID 154577383
(2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol
CID 93083054
(2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propan-1-ol
CID 103880707
2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol
CID 95379080
2-[(2,4-dibromophenyl)methylamino]propan-1-ol
CID 107938737
2-[(2-chloro-5-nitrophenyl)methylamino]propan-1-ol
CID 43499430

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorothiophen-3-yl)methylamino]propan-1-ol?
The IUPAC name of 2-[(2,5-dichlorothiophen-3-yl)methylamino]propan-1-ol (CID 107961535) is 2-[(2,5-dichlorothiophen-3-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2-[(2,5-dichlorothiophen-3-yl)methylamino]propan-1-ol?
The canonical SMILES for 2-[(2,5-dichlorothiophen-3-yl)methylamino]propan-1-ol is CC(CO)NCc1cc(Cl)sc1Cl.
What is the InChIKey of 2-[(2,5-dichlorothiophen-3-yl)methylamino]propan-1-ol?
The InChIKey is DLXIRNFUYNVVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2NOS/c1-5(4-12)11-3-6-2-7(9)13-8(6)10/h2,5,11-12H,3-4H2,1H3.
What are the key properties of 2-[(2,5-dichlorothiophen-3-yl)methylamino]propan-1-ol?
2-[(2,5-dichlorothiophen-3-yl)methylamino]propan-1-ol has a molecular weight of 240.15 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorothiophen-3-yl)methylamino]propan-1-ol is sourced from PubChem (CID 107961535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).