1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol

C14H19Cl2NO3 — CID 111466535

IUPAC1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
SMILESOC(CNC1CCOCC1)COc1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2NO3/c15-12-2-1-3-13(14(12)16)20-9-11(18)8-17-10-4-6-19-7-5-10/h1-3,10-11,17-18H,4-9H2
InChIKeyDDSNZQKETKDXDI-UHFFFAOYSA-N
MW320.22 g/mol
LogP2.50
Rot. Bonds6

About 1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol

1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol (PubChem CID 111466535) has the molecular formula C14H19Cl2NO3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
PubChem CID111466535
Molecular FormulaC14H19Cl2NO3
Molecular Weight320.22 g/mol
Exact Mass319.07
IUPAC Name1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
SMILESOC(CNC1CCOCC1)COc1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2NO3/c15-12-2-1-3-13(14(12)16)20-9-11(18)8-17-10-4-6-19-7-5-10/h1-3,10-11,17-18H,4-9H2
InChIKeyDDSNZQKETKDXDI-UHFFFAOYSA-N
XLogP2.50
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 54937624
2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-(oxan-4-yl)acetamide
CID 120790022
(2S)-1-(4-fluorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 93386645
(2R)-1-(2,4-dimethylphenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 39767536
(2S)-1-(2,4-dimethylphenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 39767533
1-(2,3-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13055703
1-(oxan-4-ylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride
CID 122714549
1-(2-chlorophenoxy)-3-[1-(oxan-4-yl)ethylamino]propan-2-ol
CID 103914754
1-(2-chloro-6-nitrophenoxy)-3-(cyclopropylamino)propan-2-ol
CID 107716500
N-[(2,3-dichlorophenyl)methyl]oxan-4-amine
CID 43609707
1-(2-chloro-6-fluorophenoxy)-3-(cyclopropylamino)propan-2-ol
CID 83050665
1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride
CID 122714533

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol?
The IUPAC name of 1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol (CID 111466535) is 1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol?
The canonical SMILES for 1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol is OC(CNC1CCOCC1)COc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol?
The InChIKey is DDSNZQKETKDXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3/c15-12-2-1-3-13(14(12)16)20-9-11(18)8-17-10-4-6-19-7-5-10/h1-3,10-11,17-18H,4-9H2.
What are the key properties of 1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol?
1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol has a molecular weight of 320.22 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol is sourced from PubChem (CID 111466535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).