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

C12H18Cl3NO2 — CID 2919059

IUPAC1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NCC(O)COc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C12H17Cl2NO2.ClH/c1-8(2)15-6-10(16)7-17-12-4-3-9(13)5-11(12)14;/h3-5,8,10,15-16H,6-7H2,1-2H3;1H
InChIKeyPFVZAOXWKHKTDM-UHFFFAOYSA-N
MW314.64 g/mol
LogP3.15
Rot. Bonds6

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

1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 2919059) has the molecular formula C12H18Cl3NO2 and a molecular weight of 314.64 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
PubChem CID2919059
Molecular FormulaC12H18Cl3NO2
Molecular Weight314.64 g/mol
Exact Mass313.04
IUPAC Name1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NCC(O)COc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C12H17Cl2NO2.ClH/c1-8(2)15-6-10(16)7-17-12-4-3-9(13)5-11(12)14;/h3-5,8,10,15-16H,6-7H2,1-2H3;1H
InChIKeyPFVZAOXWKHKTDM-UHFFFAOYSA-N
XLogP3.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.64
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenoxy)-3-(4-methylpentan-2-ylamino)propan-2-ol
CID 60902173
1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635510
1-(4-amino-2-chlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 154089676
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
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
(2S)-1-(2,4-dichlorophenoxy)-3-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 31580914
1-(2,4-dichlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride
CID 138960076
1-(2-chloro-4-methylphenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol;hydrochloride
CID 138960404
1-[4-chloro-2-[(E)-3-hydroxyprop-1-enyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 12641176
1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62413983
3-chloro-N-ethyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide
CID 14853026

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride (CID 2919059) is 1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride is CC(C)NCC(O)COc1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of 1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is PFVZAOXWKHKTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO2.ClH/c1-8(2)15-6-10(16)7-17-12-4-3-9(13)5-11(12)14;/h3-5,8,10,15-16H,6-7H2,1-2H3;1H.
What are the key properties of 1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 314.64 g/mol, XLogP of 3.15, 6 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-(propan-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 2919059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).