1-(2-chlorophenoxy)-3-[1-(oxan-4-yl)ethylamino]propan-2-ol

C16H24ClNO3 — CID 103914754

IUPAC1-(2-chlorophenoxy)-3-[1-(oxan-4-yl)ethylamino]propan-2-ol
SMILESCC(NCC(O)COc1ccccc1Cl)C1CCOCC1
InChIInChI=1S/C16H24ClNO3/c1-12(13-6-8-20-9-7-13)18-10-14(19)11-21-16-5-3-2-4-15(16)17/h2-5,12-14,18-19H,6-11H2,1H3
InChIKeyYKVNCKFGLNRHEF-UHFFFAOYSA-N
MW313.82 g/mol
LogP2.48
Rot. Bonds7

About 1-(2-chlorophenoxy)-3-[1-(oxan-4-yl)ethylamino]propan-2-ol

1-(2-chlorophenoxy)-3-[1-(oxan-4-yl)ethylamino]propan-2-ol (PubChem CID 103914754) has the molecular formula C16H24ClNO3 and a molecular weight of 313.82 g/mol. Its IUPAC name is 1-(2-chlorophenoxy)-3-[1-(oxan-4-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenoxy)-3-[1-(oxan-4-yl)ethylamino]propan-2-ol
PubChem CID103914754
Molecular FormulaC16H24ClNO3
Molecular Weight313.82 g/mol
Exact Mass313.14
IUPAC Name1-(2-chlorophenoxy)-3-[1-(oxan-4-yl)ethylamino]propan-2-ol
SMILESCC(NCC(O)COc1ccccc1Cl)C1CCOCC1
InChIInChI=1S/C16H24ClNO3/c1-12(13-6-8-20-9-7-13)18-10-14(19)11-21-16-5-3-2-4-15(16)17/h2-5,12-14,18-19H,6-11H2,1H3
InChIKeyYKVNCKFGLNRHEF-UHFFFAOYSA-N
XLogP2.48
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.82
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenoxy)-3-(1-cyclohexylethylamino)propan-2-ol
CID 62406462
1-(2-chlorophenoxy)-3-[[(1S)-1-cyclohexylethyl]amino]propan-2-ol
CID 81388789
1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol
CID 81395407
2-[3-[[(1S)-1-cyclopentylethyl]amino]-2-hydroxypropoxy]benzonitrile
CID 81390213
1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol
CID 112768285
1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 111466535
(2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol
CID 2141740
2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-(oxan-4-yl)acetamide
CID 120790022
1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 54938516
(2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol
CID 39840286
1-(2-chlorophenoxy)-3-[(2,3-dimethylcyclopentyl)amino]propan-2-ol
CID 64909777
(2S)-1-(2-chlorophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 34207051

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenoxy)-3-[1-(oxan-4-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(2-chlorophenoxy)-3-[1-(oxan-4-yl)ethylamino]propan-2-ol (CID 103914754) is 1-(2-chlorophenoxy)-3-[1-(oxan-4-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(2-chlorophenoxy)-3-[1-(oxan-4-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(2-chlorophenoxy)-3-[1-(oxan-4-yl)ethylamino]propan-2-ol is CC(NCC(O)COc1ccccc1Cl)C1CCOCC1.
What is the InChIKey of 1-(2-chlorophenoxy)-3-[1-(oxan-4-yl)ethylamino]propan-2-ol?
The InChIKey is YKVNCKFGLNRHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3/c1-12(13-6-8-20-9-7-13)18-10-14(19)11-21-16-5-3-2-4-15(16)17/h2-5,12-14,18-19H,6-11H2,1H3.
What are the key properties of 1-(2-chlorophenoxy)-3-[1-(oxan-4-yl)ethylamino]propan-2-ol?
1-(2-chlorophenoxy)-3-[1-(oxan-4-yl)ethylamino]propan-2-ol has a molecular weight of 313.82 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenoxy)-3-[1-(oxan-4-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 103914754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).