1-(2,5-dichlorophenoxy)-3-[1-(dimethylamino)propan-2-ylamino]propan-2-ol

C14H22Cl2N2O2 — CID 82939369

IUPAC1-(2,5-dichlorophenoxy)-3-[1-(dimethylamino)propan-2-ylamino]propan-2-ol
SMILESCC(CN(C)C)NCC(O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H22Cl2N2O2/c1-10(8-18(2)3)17-7-12(19)9-20-14-6-11(15)4-5-13(14)16/h4-6,10,12,17,19H,7-9H2,1-3H3
InChIKeyYSHZGELNBYJELR-UHFFFAOYSA-N
MW321.25 g/mol
LogP2.27
Rot. Bonds8

About 1-(2,5-dichlorophenoxy)-3-[1-(dimethylamino)propan-2-ylamino]propan-2-ol

1-(2,5-dichlorophenoxy)-3-[1-(dimethylamino)propan-2-ylamino]propan-2-ol (PubChem CID 82939369) has the molecular formula C14H22Cl2N2O2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 1-(2,5-dichlorophenoxy)-3-[1-(dimethylamino)propan-2-ylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dichlorophenoxy)-3-[1-(dimethylamino)propan-2-ylamino]propan-2-ol
PubChem CID82939369
Molecular FormulaC14H22Cl2N2O2
Molecular Weight321.25 g/mol
Exact Mass320.11
IUPAC Name1-(2,5-dichlorophenoxy)-3-[1-(dimethylamino)propan-2-ylamino]propan-2-ol
SMILESCC(CN(C)C)NCC(O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H22Cl2N2O2/c1-10(8-18(2)3)17-7-12(19)9-20-14-6-11(15)4-5-13(14)16/h4-6,10,12,17,19H,7-9H2,1-3H3
InChIKeyYSHZGELNBYJELR-UHFFFAOYSA-N
XLogP2.27
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol
CID 62119307
1-(2,5-dichlorophenoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol
CID 106190688
1-(2,4-dichlorophenoxy)-3-(4-methylpentan-2-ylamino)propan-2-ol
CID 60902173
(2R)-1-(2,5-dichlorophenoxy)propan-2-ol
CID 106933028
1-(2,5-dichlorophenoxy)-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103746646
1-(2,5-dichlorophenoxy)-3-(hex-1-yn-3-ylamino)propan-2-ol
CID 106229990
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059
[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]-methylsulfamic acid
CID 2832246
methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60649077
[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium
CID 9159109
1-(2,5-dichlorophenoxy)-3-(prop-2-enylamino)propan-2-ol
CID 3542105
(2S)-1-(2,5-dichlorophenoxy)-3-(prop-2-enylamino)propan-2-ol
CID 2114447

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenoxy)-3-[1-(dimethylamino)propan-2-ylamino]propan-2-ol?
The IUPAC name of 1-(2,5-dichlorophenoxy)-3-[1-(dimethylamino)propan-2-ylamino]propan-2-ol (CID 82939369) is 1-(2,5-dichlorophenoxy)-3-[1-(dimethylamino)propan-2-ylamino]propan-2-ol.
What is the SMILES notation for 1-(2,5-dichlorophenoxy)-3-[1-(dimethylamino)propan-2-ylamino]propan-2-ol?
The canonical SMILES for 1-(2,5-dichlorophenoxy)-3-[1-(dimethylamino)propan-2-ylamino]propan-2-ol is CC(CN(C)C)NCC(O)COc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenoxy)-3-[1-(dimethylamino)propan-2-ylamino]propan-2-ol?
The InChIKey is YSHZGELNBYJELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2O2/c1-10(8-18(2)3)17-7-12(19)9-20-14-6-11(15)4-5-13(14)16/h4-6,10,12,17,19H,7-9H2,1-3H3.
What are the key properties of 1-(2,5-dichlorophenoxy)-3-[1-(dimethylamino)propan-2-ylamino]propan-2-ol?
1-(2,5-dichlorophenoxy)-3-[1-(dimethylamino)propan-2-ylamino]propan-2-ol has a molecular weight of 321.25 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenoxy)-3-[1-(dimethylamino)propan-2-ylamino]propan-2-ol is sourced from PubChem (CID 82939369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).