3-amino-1-(2-chlorofuran-3-yl)-2-(2-chlorophenyl)propan-1-ol

C13H13Cl2NO2 — CID 106690371

IUPAC3-amino-1-(2-chlorofuran-3-yl)-2-(2-chlorophenyl)propan-1-ol
SMILESNCC(c1ccccc1Cl)C(O)c1ccoc1Cl
InChIInChI=1S/C13H13Cl2NO2/c14-11-4-2-1-3-8(11)10(7-16)12(17)9-5-6-18-13(9)15/h1-6,10,12,17H,7,16H2
InChIKeyNNDZFQYUFBEMCU-UHFFFAOYSA-N
MW286.16 g/mol
LogP3.36
Rot. Bonds4

About 3-amino-1-(2-chlorofuran-3-yl)-2-(2-chlorophenyl)propan-1-ol

3-amino-1-(2-chlorofuran-3-yl)-2-(2-chlorophenyl)propan-1-ol (PubChem CID 106690371) has the molecular formula C13H13Cl2NO2 and a molecular weight of 286.16 g/mol. Its IUPAC name is 3-amino-1-(2-chlorofuran-3-yl)-2-(2-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-chlorofuran-3-yl)-2-(2-chlorophenyl)propan-1-ol
PubChem CID106690371
Molecular FormulaC13H13Cl2NO2
Molecular Weight286.16 g/mol
Exact Mass285.03
IUPAC Name3-amino-1-(2-chlorofuran-3-yl)-2-(2-chlorophenyl)propan-1-ol
SMILESNCC(c1ccccc1Cl)C(O)c1ccoc1Cl
InChIInChI=1S/C13H13Cl2NO2/c14-11-4-2-1-3-8(11)10(7-16)12(17)9-5-6-18-13(9)15/h1-6,10,12,17H,7,16H2
InChIKeyNNDZFQYUFBEMCU-UHFFFAOYSA-N
XLogP3.36
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-chlorofuran-3-yl)-2-(2-chlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2-chlorofuran-3-yl)-2-(2-chlorophenyl)propan-1-ol (CID 106690371) is 3-amino-1-(2-chlorofuran-3-yl)-2-(2-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2-chlorofuran-3-yl)-2-(2-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2-chlorofuran-3-yl)-2-(2-chlorophenyl)propan-1-ol is NCC(c1ccccc1Cl)C(O)c1ccoc1Cl.
What is the InChIKey of 3-amino-1-(2-chlorofuran-3-yl)-2-(2-chlorophenyl)propan-1-ol?
The InChIKey is NNDZFQYUFBEMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO2/c14-11-4-2-1-3-8(11)10(7-16)12(17)9-5-6-18-13(9)15/h1-6,10,12,17H,7,16H2.
What are the key properties of 3-amino-1-(2-chlorofuran-3-yl)-2-(2-chlorophenyl)propan-1-ol?
3-amino-1-(2-chlorofuran-3-yl)-2-(2-chlorophenyl)propan-1-ol has a molecular weight of 286.16 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-chlorofuran-3-yl)-2-(2-chlorophenyl)propan-1-ol is sourced from PubChem (CID 106690371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).