2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol

C15H21Cl2NO3 — CID 62360958

IUPAC2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol
SMILESOC(CNC1CCCCC1O)COc1c(Cl)cccc1Cl
InChIInChI=1S/C15H21Cl2NO3/c16-11-4-3-5-12(17)15(11)21-9-10(19)8-18-13-6-1-2-7-14(13)20/h3-5,10,13-14,18-20H,1-2,6-9H2
InChIKeyFQLQRDXIHDUSSW-UHFFFAOYSA-N
MW334.24 g/mol
LogP2.63
Rot. Bonds6

About 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol

2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol (PubChem CID 62360958) has the molecular formula C15H21Cl2NO3 and a molecular weight of 334.24 g/mol. Its IUPAC name is 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol
PubChem CID62360958
Molecular FormulaC15H21Cl2NO3
Molecular Weight334.24 g/mol
Exact Mass333.09
IUPAC Name2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol
SMILESOC(CNC1CCCCC1O)COc1c(Cl)cccc1Cl
InChIInChI=1S/C15H21Cl2NO3/c16-11-4-3-5-12(17)15(11)21-9-10(19)8-18-13-6-1-2-7-14(13)20/h3-5,10,13-14,18-20H,1-2,6-9H2
InChIKeyFQLQRDXIHDUSSW-UHFFFAOYSA-N
XLogP2.63
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol
CID 79856856
1-(2-chloro-6-fluorophenoxy)-3-(cyclopropylamino)propan-2-ol
CID 83050665
2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol
CID 62359837
1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632624
3-[[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclopentan-1-ol
CID 106129230
1-(2,6-dichlorophenoxy)-3-(thian-2-ylmethylamino)propan-2-ol
CID 80595228
1-(2-chloro-6-nitrophenoxy)-3-(cyclopropylamino)propan-2-ol
CID 107716500
2-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol
CID 55063698
1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol
CID 65039959
3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]propane-1,2-diol
CID 112609889
1-(2,6-dichlorophenoxy)-3-(2,3,4,5-tetrahydro-1-benzoxepin-3-ylamino)propan-2-ol
CID 146075592
1-(2,6-dichlorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
CID 106212245

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol (CID 62360958) is 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol is OC(CNC1CCCCC1O)COc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol?
The InChIKey is FQLQRDXIHDUSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO3/c16-11-4-3-5-12(17)15(11)21-9-10(19)8-18-13-6-1-2-7-14(13)20/h3-5,10,13-14,18-20H,1-2,6-9H2.
What are the key properties of 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol?
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol has a molecular weight of 334.24 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 62360958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).