1-(2,4-dichlorophenoxy)-3-(4-methylpentan-2-ylamino)propan-2-ol

C15H23Cl2NO2 — CID 60902173

IUPAC1-(2,4-dichlorophenoxy)-3-(4-methylpentan-2-ylamino)propan-2-ol
SMILESCC(C)CC(C)NCC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2NO2/c1-10(2)6-11(3)18-8-13(19)9-20-15-5-4-12(16)7-14(15)17/h4-5,7,10-11,13,18-19H,6,8-9H2,1-3H3
InChIKeyFNYQDYKNUABFAY-UHFFFAOYSA-N
MW320.26 g/mol
LogP3.76
Rot. Bonds8

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

1-(2,4-dichlorophenoxy)-3-(4-methylpentan-2-ylamino)propan-2-ol (PubChem CID 60902173) has the molecular formula C15H23Cl2NO2 and a molecular weight of 320.26 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-3-(4-methylpentan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)-3-(4-methylpentan-2-ylamino)propan-2-ol
PubChem CID60902173
Molecular FormulaC15H23Cl2NO2
Molecular Weight320.26 g/mol
Exact Mass319.11
IUPAC Name1-(2,4-dichlorophenoxy)-3-(4-methylpentan-2-ylamino)propan-2-ol
SMILESCC(C)CC(C)NCC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2NO2/c1-10(2)6-11(3)18-8-13(19)9-20-15-5-4-12(16)7-14(15)17/h4-5,7,10-11,13,18-19H,6,8-9H2,1-3H3
InChIKeyFNYQDYKNUABFAY-UHFFFAOYSA-N
XLogP3.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-dichlorophenoxy)-3-(4-methylpentan-2-ylamino)propan-2-ol with MolForge

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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-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635510
1-(2,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol
CID 60713244
(2S)-1-(2,4-dichlorophenoxy)-3-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 31580914
1-(2,5-dichlorophenoxy)-3-[1-(dimethylamino)propan-2-ylamino]propan-2-ol
CID 82939369
1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62140528
1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60902172
2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 3412619
1-(2,4-dichlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride
CID 138960076
1-(4-amino-2-chlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 154089676

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-3-(4-methylpentan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenoxy)-3-(4-methylpentan-2-ylamino)propan-2-ol (CID 60902173) is 1-(2,4-dichlorophenoxy)-3-(4-methylpentan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)-3-(4-methylpentan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenoxy)-3-(4-methylpentan-2-ylamino)propan-2-ol is CC(C)CC(C)NCC(O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenoxy)-3-(4-methylpentan-2-ylamino)propan-2-ol?
The InChIKey is FNYQDYKNUABFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO2/c1-10(2)6-11(3)18-8-13(19)9-20-15-5-4-12(16)7-14(15)17/h4-5,7,10-11,13,18-19H,6,8-9H2,1-3H3.
What are the key properties of 1-(2,4-dichlorophenoxy)-3-(4-methylpentan-2-ylamino)propan-2-ol?
1-(2,4-dichlorophenoxy)-3-(4-methylpentan-2-ylamino)propan-2-ol has a molecular weight of 320.26 g/mol, XLogP of 3.76, 8 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-(4-methylpentan-2-ylamino)propan-2-ol is sourced from PubChem (CID 60902173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).