1-(2,4-dichlorophenoxy)-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol

C15H21Cl2NO3 — CID 103581273

IUPAC1-(2,4-dichlorophenoxy)-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol
SMILESCC1OCCC1(C)NCC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO3/c1-10-15(2,5-6-20-10)18-8-12(19)9-21-14-4-3-11(16)7-13(14)17/h3-4,7,10,12,18-19H,5-6,8-9H2,1-2H3
InChIKeyHQSRHBRYPDJCTL-UHFFFAOYSA-N
MW334.24 g/mol
LogP2.89
Rot. Bonds6

About 1-(2,4-dichlorophenoxy)-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol

1-(2,4-dichlorophenoxy)-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol (PubChem CID 103581273) has the molecular formula C15H21Cl2NO3 and a molecular weight of 334.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol
PubChem CID103581273
Molecular FormulaC15H21Cl2NO3
Molecular Weight334.24 g/mol
Exact Mass333.09
IUPAC Name1-(2,4-dichlorophenoxy)-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol
SMILESCC1OCCC1(C)NCC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO3/c1-10-15(2,5-6-20-10)18-8-12(19)9-21-14-4-3-11(16)7-13(14)17/h3-4,7,10,12,18-19H,5-6,8-9H2,1-2H3
InChIKeyHQSRHBRYPDJCTL-UHFFFAOYSA-N
XLogP2.89
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dichlorophenoxy)-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol with MolForge

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Related Compounds

1-[(4-chlorophenyl)methoxy]-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol
CID 103581402
1-[(2,3-dimethyloxolan-3-yl)amino]-3-phenylmethoxypropan-2-ol
CID 103581260
1-(2,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol
CID 60713244
1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62413983
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059
1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635510
1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol
CID 107152413
1-(2,4-dichlorophenoxy)-3-(2-ethoxyethylamino)propan-2-ol
CID 54938687
3-[[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
CID 66005905
1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62140528
2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 3412619

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenoxy)-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol (CID 103581273) is 1-(2,4-dichlorophenoxy)-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenoxy)-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol is CC1OCCC1(C)NCC(O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenoxy)-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol?
The InChIKey is HQSRHBRYPDJCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO3/c1-10-15(2,5-6-20-10)18-8-12(19)9-21-14-4-3-11(16)7-13(14)17/h3-4,7,10,12,18-19H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenoxy)-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol?
1-(2,4-dichlorophenoxy)-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol has a molecular weight of 334.24 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenoxy)-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol is sourced from PubChem (CID 103581273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).