1-(2,5-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol

C16H23Cl2NO2 — CID 79870883

IUPAC1-(2,5-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol
SMILESCC1(C)CCCC1NCC(O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H23Cl2NO2/c1-16(2)7-3-4-15(16)19-9-12(20)10-21-14-8-11(17)5-6-13(14)18/h5-6,8,12,15,19-20H,3-4,7,9-10H2,1-2H3
InChIKeyJGSVNDDNIFUMSI-UHFFFAOYSA-N
MW332.27 g/mol
LogP3.90
Rot. Bonds6

About 1-(2,5-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol

1-(2,5-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol (PubChem CID 79870883) has the molecular formula C16H23Cl2NO2 and a molecular weight of 332.27 g/mol. Its IUPAC name is 1-(2,5-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol
PubChem CID79870883
Molecular FormulaC16H23Cl2NO2
Molecular Weight332.27 g/mol
Exact Mass331.11
IUPAC Name1-(2,5-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol
SMILESCC1(C)CCCC1NCC(O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H23Cl2NO2/c1-16(2)7-3-4-15(16)19-9-12(20)10-21-14-8-11(17)5-6-13(14)18/h5-6,8,12,15,19-20H,3-4,7,9-10H2,1-2H3
InChIKeyJGSVNDDNIFUMSI-UHFFFAOYSA-N
XLogP3.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol
CID 79856856
1-[(2,2-dimethylcyclopentyl)amino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 79856512
1-(2,5-dichlorophenoxy)-3-[(2-methylthiolan-2-yl)methylamino]propan-2-ol
CID 80732828
1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62413983
5-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one
CID 63661388
1-[(2,2-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 79870605
1-(3,4-dichlorophenoxy)-3-[(2,2-dimethylcyclopropyl)amino]propan-2-ol
CID 61223730
1-(2,5-dichlorophenoxy)-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103746646
1-(2,5-dichlorophenoxy)-3-[1-(dimethylamino)propan-2-ylamino]propan-2-ol
CID 82939369
1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 79870746
methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60649077
[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium
CID 9159109

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol?
The IUPAC name of 1-(2,5-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol (CID 79870883) is 1-(2,5-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol.
What is the SMILES notation for 1-(2,5-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol?
The canonical SMILES for 1-(2,5-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol is CC1(C)CCCC1NCC(O)COc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol?
The InChIKey is JGSVNDDNIFUMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO2/c1-16(2)7-3-4-15(16)19-9-12(20)10-21-14-8-11(17)5-6-13(14)18/h5-6,8,12,15,19-20H,3-4,7,9-10H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol?
1-(2,5-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol has a molecular weight of 332.27 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol is sourced from PubChem (CID 79870883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).