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

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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).