1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol

C13H19Cl2NO2 — CID 60635350

IUPAC1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNCC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO2/c1-9(2)6-16-7-11(17)8-18-13-4-3-10(14)5-12(13)15/h3-5,9,11,16-17H,6-8H2,1-2H3
InChIKeyANLRBPRAVUKHSP-UHFFFAOYSA-N
MW292.21 g/mol
LogP2.98
Rot. Bonds7

About 1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol

1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol (PubChem CID 60635350) has the molecular formula C13H19Cl2NO2 and a molecular weight of 292.21 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
PubChem CID60635350
Molecular FormulaC13H19Cl2NO2
Molecular Weight292.21 g/mol
Exact Mass291.08
IUPAC Name1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNCC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO2/c1-9(2)6-16-7-11(17)8-18-13-4-3-10(14)5-12(13)15/h3-5,9,11,16-17H,6-8H2,1-2H3
InChIKeyANLRBPRAVUKHSP-UHFFFAOYSA-N
XLogP2.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol
CID 107152413
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059
1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62140528
1-(2,4-dichlorophenoxy)-3-(4-methylpentan-2-ylamino)propan-2-ol
CID 60902173
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-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61043126
3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropane-1,2-diol
CID 66185309
(2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 39359453
1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635510
3-[[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
CID 66005905
1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol
CID 168510550

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol (CID 60635350) is 1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol is CC(C)CNCC(O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is ANLRBPRAVUKHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO2/c1-9(2)6-16-7-11(17)8-18-13-4-3-10(14)5-12(13)15/h3-5,9,11,16-17H,6-8H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol?
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 292.21 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 60635350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).