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

C16H21Cl2NO2 — CID 60713365

IUPAC1-(3,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol
SMILESOC(CNC(C1CC1)C1CC1)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H21Cl2NO2/c17-14-6-5-13(7-15(14)18)21-9-12(20)8-19-16(10-1-2-10)11-3-4-11/h5-7,10-12,16,19-20H,1-4,8-9H2
InChIKeyKPYQRCBYBVCRHG-UHFFFAOYSA-N
MW330.25 g/mol
LogP3.51
Rot. Bonds8

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

1-(3,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol (PubChem CID 60713365) has the molecular formula C16H21Cl2NO2 and a molecular weight of 330.25 g/mol. Its IUPAC name is 1-(3,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol
PubChem CID60713365
Molecular FormulaC16H21Cl2NO2
Molecular Weight330.25 g/mol
Exact Mass329.09
IUPAC Name1-(3,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol
SMILESOC(CNC(C1CC1)C1CC1)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H21Cl2NO2/c17-14-6-5-13(7-15(14)18)21-9-12(20)8-19-16(10-1-2-10)11-3-4-11/h5-7,10-12,16,19-20H,1-4,8-9H2
InChIKeyKPYQRCBYBVCRHG-UHFFFAOYSA-N
XLogP3.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol
CID 60713244
(2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol
CID 39840286
1-(dicyclopropylmethylamino)-3-(3-ethylphenoxy)propan-2-ol
CID 60713290
1-(3,4-dichlorophenoxy)-3-[(2,2-dimethylcyclopropyl)amino]propan-2-ol
CID 61223730
1-(but-3-yn-2-ylamino)-3-(3,4-dichlorophenoxy)propan-2-ol
CID 114416471
3-(3,4-dichlorophenoxy)propane-1,2-diol
CID 78931944
3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylsulfanylbutan-1-ol
CID 106160479
1-(2-bromo-4-methylphenoxy)-3-(dicyclopropylmethylamino)propan-2-ol
CID 60713214
1-(3,4-dichlorophenoxy)-3-(thiolan-2-ylmethylamino)propan-2-ol
CID 80584775
1-(3,4-dichlorophenoxy)-3-(2-methylpropoxyamino)propan-2-ol
CID 82715506
1-(3-aminopropylamino)-3-(3,4-dichlorophenoxy)propan-2-ol
CID 62275385
1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 43247705

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol?
The IUPAC name of 1-(3,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol (CID 60713365) is 1-(3,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(3,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol?
The canonical SMILES for 1-(3,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol is OC(CNC(C1CC1)C1CC1)COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol?
The InChIKey is KPYQRCBYBVCRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO2/c17-14-6-5-13(7-15(14)18)21-9-12(20)8-19-16(10-1-2-10)11-3-4-11/h5-7,10-12,16,19-20H,1-4,8-9H2.
What are the key properties of 1-(3,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol?
1-(3,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol has a molecular weight of 330.25 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol is sourced from PubChem (CID 60713365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).