1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol

C13H20Cl2N2O2 — CID 60635084

IUPAC1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol
SMILESCN(C)CCNCC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N2O2/c1-17(2)6-5-16-8-11(18)9-19-13-4-3-10(14)7-12(13)15/h3-4,7,11,16,18H,5-6,8-9H2,1-2H3
InChIKeyMHOHRIPRZRZOLR-UHFFFAOYSA-N
MW307.22 g/mol
LogP1.88
Rot. Bonds8

About 1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol

1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol (PubChem CID 60635084) has the molecular formula C13H20Cl2N2O2 and a molecular weight of 307.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol
PubChem CID60635084
Molecular FormulaC13H20Cl2N2O2
Molecular Weight307.22 g/mol
Exact Mass306.09
IUPAC Name1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol
SMILESCN(C)CCNCC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N2O2/c1-17(2)6-5-16-8-11(18)9-19-13-4-3-10(14)7-12(13)15/h3-4,7,11,16,18H,5-6,8-9H2,1-2H3
InChIKeyMHOHRIPRZRZOLR-UHFFFAOYSA-N
XLogP1.88
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 51.88
H-Bond Donors ≤ 52
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-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62140528
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
1-(2,4-dichlorophenoxy)-3-(2-ethoxyethylamino)propan-2-ol
CID 54938687
1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol
CID 107152413
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
2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 3412619
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
1-(2,4-dichlorophenoxy)-3-[2-(1-methylimidazol-4-yl)ethylamino]propan-2-ol
CID 167880911
1-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 82313283
1-(2,4-dichlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60632969

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol (CID 60635084) is 1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol is CN(C)CCNCC(O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol?
The InChIKey is MHOHRIPRZRZOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O2/c1-17(2)6-5-16-8-11(18)9-19-13-4-3-10(14)7-12(13)15/h3-4,7,11,16,18H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol?
1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol has a molecular weight of 307.22 g/mol, XLogP of 1.88, 8 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-(dimethylamino)ethylamino]propan-2-ol is sourced from PubChem (CID 60635084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).