1-[2-(2,6-dichloroanilino)ethylamino]-3-phenoxypropan-2-ol

C17H20Cl2N2O2 — CID 3054449

IUPAC1-[2-(2,6-dichloroanilino)ethylamino]-3-phenoxypropan-2-ol
SMILESOC(CNCCNc1c(Cl)cccc1Cl)COc1ccccc1
InChIInChI=1S/C17H20Cl2N2O2/c18-15-7-4-8-16(19)17(15)21-10-9-20-11-13(22)12-23-14-5-2-1-3-6-14/h1-8,13,20-22H,9-12H2
InChIKeyFNUUCCYETJKAGB-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.43
Rot. Bonds9

About 1-[2-(2,6-dichloroanilino)ethylamino]-3-phenoxypropan-2-ol

1-[2-(2,6-dichloroanilino)ethylamino]-3-phenoxypropan-2-ol (PubChem CID 3054449) has the molecular formula C17H20Cl2N2O2 and a molecular weight of 355.26 g/mol. Its IUPAC name is 1-[2-(2,6-dichloroanilino)ethylamino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(2,6-dichloroanilino)ethylamino]-3-phenoxypropan-2-ol
PubChem CID3054449
Molecular FormulaC17H20Cl2N2O2
Molecular Weight355.26 g/mol
Exact Mass354.09
IUPAC Name1-[2-(2,6-dichloroanilino)ethylamino]-3-phenoxypropan-2-ol
SMILESOC(CNCCNc1c(Cl)cccc1Cl)COc1ccccc1
InChIInChI=1S/C17H20Cl2N2O2/c18-15-7-4-8-16(19)17(15)21-10-9-20-11-13(22)12-23-14-5-2-1-3-6-14/h1-8,13,20-22H,9-12H2
InChIKeyFNUUCCYETJKAGB-UHFFFAOYSA-N
XLogP3.43
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,6-dichloroanilino)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 110171574
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
2-(2-chlorophenyl)-N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]acetamide
CID 13030863
(2S)-1-[2-(benzylamino)ethylamino]-3-phenoxypropan-2-ol
CID 129389592
1-[2-(3-aminoanilino)ethylamino]-3-phenoxypropan-2-ol
CID 3030927
(2S)-1-phenoxy-3-[2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethylamino]propan-2-ol
CID 76959364
1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol
CID 60634254
1-(2,6-dichlorophenoxy)-3-(3,3-dimethylbutylamino)propan-2-ol
CID 115581091
1-phenoxy-3-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethylamino]propan-2-ol
CID 12818857
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855
(2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol
CID 40580003
(2R)-1-phenoxy-3-(2-phenylsulfanylethylamino)propan-2-ol
CID 10685878

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichloroanilino)ethylamino]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[2-(2,6-dichloroanilino)ethylamino]-3-phenoxypropan-2-ol (CID 3054449) is 1-[2-(2,6-dichloroanilino)ethylamino]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[2-(2,6-dichloroanilino)ethylamino]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[2-(2,6-dichloroanilino)ethylamino]-3-phenoxypropan-2-ol is OC(CNCCNc1c(Cl)cccc1Cl)COc1ccccc1.
What is the InChIKey of 1-[2-(2,6-dichloroanilino)ethylamino]-3-phenoxypropan-2-ol?
The InChIKey is FNUUCCYETJKAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O2/c18-15-7-4-8-16(19)17(15)21-10-9-20-11-13(22)12-23-14-5-2-1-3-6-14/h1-8,13,20-22H,9-12H2.
What are the key properties of 1-[2-(2,6-dichloroanilino)ethylamino]-3-phenoxypropan-2-ol?
1-[2-(2,6-dichloroanilino)ethylamino]-3-phenoxypropan-2-ol has a molecular weight of 355.26 g/mol, XLogP of 3.43, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichloroanilino)ethylamino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 3054449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).