1-(2,6-dichlorophenoxy)-3-[(3-methylcyclopentyl)methylamino]propan-2-ol

C16H23Cl2NO2 — CID 107412633

IUPAC1-(2,6-dichlorophenoxy)-3-[(3-methylcyclopentyl)methylamino]propan-2-ol
SMILESCC1CCC(CNCC(O)COc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C16H23Cl2NO2/c1-11-5-6-12(7-11)8-19-9-13(20)10-21-16-14(17)3-2-4-15(16)18/h2-4,11-13,19-20H,5-10H2,1H3
InChIKeyRXDRRSJGSLGRKS-UHFFFAOYSA-N
MW332.27 g/mol
LogP3.76
Rot. Bonds7

About 1-(2,6-dichlorophenoxy)-3-[(3-methylcyclopentyl)methylamino]propan-2-ol

1-(2,6-dichlorophenoxy)-3-[(3-methylcyclopentyl)methylamino]propan-2-ol (PubChem CID 107412633) has the molecular formula C16H23Cl2NO2 and a molecular weight of 332.27 g/mol. Its IUPAC name is 1-(2,6-dichlorophenoxy)-3-[(3-methylcyclopentyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenoxy)-3-[(3-methylcyclopentyl)methylamino]propan-2-ol
PubChem CID107412633
Molecular FormulaC16H23Cl2NO2
Molecular Weight332.27 g/mol
Exact Mass331.11
IUPAC Name1-(2,6-dichlorophenoxy)-3-[(3-methylcyclopentyl)methylamino]propan-2-ol
SMILESCC1CCC(CNCC(O)COc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C16H23Cl2NO2/c1-11-5-6-12(7-11)8-19-9-13(20)10-21-16-14(17)3-2-4-15(16)18/h2-4,11-13,19-20H,5-10H2,1H3
InChIKeyRXDRRSJGSLGRKS-UHFFFAOYSA-N
XLogP3.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclopentan-1-ol
CID 106129230
1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol
CID 60634254
1-(2,6-dichlorophenoxy)-3-(thian-2-ylmethylamino)propan-2-ol
CID 80595228
2-chloro-6-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107412029
1-(2,6-dichlorophenoxy)-3-(3,3-dimethylbutylamino)propan-2-ol
CID 115581091
1-[(3-methylcyclopentyl)methylamino]butan-2-ol
CID 107412667
1-(2,6-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol
CID 79856856
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol
CID 62360958
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909088
4-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]butanamide
CID 60908871
3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106276235
1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol
CID 65039959

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenoxy)-3-[(3-methylcyclopentyl)methylamino]propan-2-ol?
The IUPAC name of 1-(2,6-dichlorophenoxy)-3-[(3-methylcyclopentyl)methylamino]propan-2-ol (CID 107412633) is 1-(2,6-dichlorophenoxy)-3-[(3-methylcyclopentyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenoxy)-3-[(3-methylcyclopentyl)methylamino]propan-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenoxy)-3-[(3-methylcyclopentyl)methylamino]propan-2-ol is CC1CCC(CNCC(O)COc2c(Cl)cccc2Cl)C1.
What is the InChIKey of 1-(2,6-dichlorophenoxy)-3-[(3-methylcyclopentyl)methylamino]propan-2-ol?
The InChIKey is RXDRRSJGSLGRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO2/c1-11-5-6-12(7-11)8-19-9-13(20)10-21-16-14(17)3-2-4-15(16)18/h2-4,11-13,19-20H,5-10H2,1H3.
What are the key properties of 1-(2,6-dichlorophenoxy)-3-[(3-methylcyclopentyl)methylamino]propan-2-ol?
1-(2,6-dichlorophenoxy)-3-[(3-methylcyclopentyl)methylamino]propan-2-ol has a molecular weight of 332.27 g/mol, XLogP of 3.76, 7 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-[(3-methylcyclopentyl)methylamino]propan-2-ol is sourced from PubChem (CID 107412633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).