1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol

C15H24ClNO4 — CID 4852521

IUPAC1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
SMILESCC(OCC(O)CNCCOCCO)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO4/c1-12(13-2-4-14(16)5-3-13)21-11-15(19)10-17-6-8-20-9-7-18/h2-5,12,15,17-19H,6-11H2,1H3
InChIKeyJSVCAZLHEZKVLX-UHFFFAOYSA-N
MW317.81 g/mol
LogP1.38
Rot. Bonds11

About 1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol

1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol (PubChem CID 4852521) has the molecular formula C15H24ClNO4 and a molecular weight of 317.81 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
PubChem CID4852521
Molecular FormulaC15H24ClNO4
Molecular Weight317.81 g/mol
Exact Mass317.14
IUPAC Name1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
SMILESCC(OCC(O)CNCCOCCO)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO4/c1-12(13-2-4-14(16)5-3-13)21-11-15(19)10-17-6-8-20-9-7-18/h2-5,12,15,17-19H,6-11H2,1H3
InChIKeyJSVCAZLHEZKVLX-UHFFFAOYSA-N
XLogP1.38
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.81
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[3-(azepan-1-yl)propylamino]-3-[(1S)-1-(4-chlorophenyl)ethoxy]propan-2-ol
CID 7859092
(2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-(furan-2-ylmethylamino)propan-2-ol
CID 25363046
1-[2-(2-hydroxyethoxy)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 60633049
(2S)-1-[(2-chlorophenyl)methoxy]-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 7998352
2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methylphenyl)ethanol
CID 82312260
1-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol
CID 82315910
1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 60632924
1-(4-chlorophenyl)-2-(3-propan-2-yloxypropylamino)ethanol
CID 82312948
1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 81355790
1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 60632998
methyl 3-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]propanoate
CID 60925192
1-[(4-chlorophenyl)methoxy]-3-(3-propoxypropylamino)propan-2-ol
CID 82942338

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol?
The IUPAC name of 1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol (CID 4852521) is 1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol is CC(OCC(O)CNCCOCCO)c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol?
The InChIKey is JSVCAZLHEZKVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO4/c1-12(13-2-4-14(16)5-3-13)21-11-15(19)10-17-6-8-20-9-7-18/h2-5,12,15,17-19H,6-11H2,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol?
1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol has a molecular weight of 317.81 g/mol, XLogP of 1.38, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 4852521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).