3-[[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol

C14H19Cl2NO3 — CID 66005905

IUPAC3-[[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
SMILESOC(CNCC1CC(O)C1)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO3/c15-10-1-2-14(13(16)5-10)20-8-12(19)7-17-6-9-3-11(18)4-9/h1-2,5,9,11-12,17-19H,3-4,6-8H2
InChIKeyJDCLIQJLZFSUPS-UHFFFAOYSA-N
MW320.22 g/mol
LogP2.09
Rot. Bonds7

About 3-[[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol

3-[[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol (PubChem CID 66005905) has the molecular formula C14H19Cl2NO3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 3-[[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
PubChem CID66005905
Molecular FormulaC14H19Cl2NO3
Molecular Weight320.22 g/mol
Exact Mass319.07
IUPAC Name3-[[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
SMILESOC(CNCC1CC(O)C1)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO3/c15-10-1-2-14(13(16)5-10)20-8-12(19)7-17-6-9-3-11(18)4-9/h1-2,5,9,11-12,17-19H,3-4,6-8H2
InChIKeyJDCLIQJLZFSUPS-UHFFFAOYSA-N
XLogP2.09
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62140528
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62413983
1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol
CID 107152413
1-(2,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol
CID 60713244
1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol
CID 60635084
1-(2,4-dichlorophenoxy)-3-(2-ethoxyethylamino)propan-2-ol
CID 54938687
1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol
CID 168510550
3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938626
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059
3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropane-1,2-diol
CID 66185309
1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635510

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol (CID 66005905) is 3-[[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol is OC(CNCC1CC(O)C1)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol?
The InChIKey is JDCLIQJLZFSUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3/c15-10-1-2-14(13(16)5-10)20-8-12(19)7-17-6-9-3-11(18)4-9/h1-2,5,9,11-12,17-19H,3-4,6-8H2.
What are the key properties of 3-[[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol?
3-[[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol has a molecular weight of 320.22 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66005905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).