1-(2,3-dichlorophenoxy)-3-(furan-2-ylmethylamino)propan-2-ol

C14H15Cl2NO3 — CID 110906839

IUPAC1-(2,3-dichlorophenoxy)-3-(furan-2-ylmethylamino)propan-2-ol
SMILESOC(CNCc1ccco1)COc1cccc(Cl)c1Cl
InChIInChI=1S/C14H15Cl2NO3/c15-12-4-1-5-13(14(12)16)20-9-10(18)7-17-8-11-3-2-6-19-11/h1-6,10,17-18H,7-9H2
InChIKeyMGDLXRBVGZEXFL-UHFFFAOYSA-N
MW316.18 g/mol
LogP3.12
Rot. Bonds7

About 1-(2,3-dichlorophenoxy)-3-(furan-2-ylmethylamino)propan-2-ol

1-(2,3-dichlorophenoxy)-3-(furan-2-ylmethylamino)propan-2-ol (PubChem CID 110906839) has the molecular formula C14H15Cl2NO3 and a molecular weight of 316.18 g/mol. Its IUPAC name is 1-(2,3-dichlorophenoxy)-3-(furan-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dichlorophenoxy)-3-(furan-2-ylmethylamino)propan-2-ol
PubChem CID110906839
Molecular FormulaC14H15Cl2NO3
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Name1-(2,3-dichlorophenoxy)-3-(furan-2-ylmethylamino)propan-2-ol
SMILESOC(CNCc1ccco1)COc1cccc(Cl)c1Cl
InChIInChI=1S/C14H15Cl2NO3/c15-12-4-1-5-13(14(12)16)20-9-10(18)7-17-8-11-3-2-6-19-11/h1-6,10,17-18H,7-9H2
InChIKeyMGDLXRBVGZEXFL-UHFFFAOYSA-N
XLogP3.12
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dichlorophenoxy)-3-(furan-2-ylmethylamino)propan-2-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

1-(2,3-dichlorophenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 110906838
(2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol
CID 41300610
(2S)-1-(furan-2-ylmethylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
CID 1490629
1-(2,3-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13055703
(2R)-1-(furan-2-ylmethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 41300568
(2R)-1-(furan-2-ylmethylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 7223566
(2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol
CID 2409096
3-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]benzonitrile
CID 60901515
(2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-(furan-2-ylmethylamino)propan-2-ol
CID 25363046
1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea
CID 94199882
1-(furan-2-ylmethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid
CID 18593406
1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 111466535

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenoxy)-3-(furan-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(2,3-dichlorophenoxy)-3-(furan-2-ylmethylamino)propan-2-ol (CID 110906839) is 1-(2,3-dichlorophenoxy)-3-(furan-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(2,3-dichlorophenoxy)-3-(furan-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(2,3-dichlorophenoxy)-3-(furan-2-ylmethylamino)propan-2-ol is OC(CNCc1ccco1)COc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenoxy)-3-(furan-2-ylmethylamino)propan-2-ol?
The InChIKey is MGDLXRBVGZEXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO3/c15-12-4-1-5-13(14(12)16)20-9-10(18)7-17-8-11-3-2-6-19-11/h1-6,10,17-18H,7-9H2.
What are the key properties of 1-(2,3-dichlorophenoxy)-3-(furan-2-ylmethylamino)propan-2-ol?
1-(2,3-dichlorophenoxy)-3-(furan-2-ylmethylamino)propan-2-ol has a molecular weight of 316.18 g/mol, XLogP of 3.12, 7 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-(furan-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 110906839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).