1-(2,6-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol

C16H23Cl2NO2 — CID 79856856

IUPAC1-(2,6-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol
SMILESCC1(C)CCCC1NCC(O)COc1c(Cl)cccc1Cl
InChIInChI=1S/C16H23Cl2NO2/c1-16(2)8-4-7-14(16)19-9-11(20)10-21-15-12(17)5-3-6-13(15)18/h3,5-6,11,14,19-20H,4,7-10H2,1-2H3
InChIKeyLSXKCVDIXJRWFX-UHFFFAOYSA-N
MW332.27 g/mol
LogP3.90
Rot. Bonds6

About 1-(2,6-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol

1-(2,6-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol (PubChem CID 79856856) has the molecular formula C16H23Cl2NO2 and a molecular weight of 332.27 g/mol. Its IUPAC name is 1-(2,6-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol
PubChem CID79856856
Molecular FormulaC16H23Cl2NO2
Molecular Weight332.27 g/mol
Exact Mass331.11
IUPAC Name1-(2,6-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol
SMILESCC1(C)CCCC1NCC(O)COc1c(Cl)cccc1Cl
InChIInChI=1S/C16H23Cl2NO2/c1-16(2)8-4-7-14(16)19-9-11(20)10-21-15-12(17)5-3-6-13(15)18/h3,5-6,11,14,19-20H,4,7-10H2,1-2H3
InChIKeyLSXKCVDIXJRWFX-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-[(2,2-dimethylcyclopentyl)amino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 79856512
1-(2,5-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol
CID 79870883
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol
CID 62360958
1-(2-chloro-6-fluorophenoxy)-3-(cyclopropylamino)propan-2-ol
CID 83050665
1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 79870746
1-[(2,2-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 79870605
3-chloro-2-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol
CID 79831452
1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol
CID 65039959
1-(2,6-difluorophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol
CID 79871344
1-(2,6-dichlorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
CID 106212245
1-(2,6-dichlorophenoxy)-3-[(3-methylcyclopentyl)methylamino]propan-2-ol
CID 107412633
1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol
CID 60634254

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol?
The IUPAC name of 1-(2,6-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol (CID 79856856) is 1-(2,6-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol is CC1(C)CCCC1NCC(O)COc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol?
The InChIKey is LSXKCVDIXJRWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO2/c1-16(2)8-4-7-14(16)19-9-11(20)10-21-15-12(17)5-3-6-13(15)18/h3,5-6,11,14,19-20H,4,7-10H2,1-2H3.
What are the key properties of 1-(2,6-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol?
1-(2,6-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-(2,6-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol is sourced from PubChem (CID 79856856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).