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

C16H24ClNO2 — CID 64909777

IUPAC1-(2-chlorophenoxy)-3-[(2,3-dimethylcyclopentyl)amino]propan-2-ol
SMILESCC1CCC(NCC(O)COc2ccccc2Cl)C1C
InChIInChI=1S/C16H24ClNO2/c1-11-7-8-15(12(11)2)18-9-13(19)10-20-16-6-4-3-5-14(16)17/h3-6,11-13,15,18-19H,7-10H2,1-2H3
InChIKeyLVCFLJAFUDXUSK-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.10
Rot. Bonds6

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

1-(2-chlorophenoxy)-3-[(2,3-dimethylcyclopentyl)amino]propan-2-ol (PubChem CID 64909777) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-(2-chlorophenoxy)-3-[(2,3-dimethylcyclopentyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenoxy)-3-[(2,3-dimethylcyclopentyl)amino]propan-2-ol
PubChem CID64909777
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name1-(2-chlorophenoxy)-3-[(2,3-dimethylcyclopentyl)amino]propan-2-ol
SMILESCC1CCC(NCC(O)COc2ccccc2Cl)C1C
InChIInChI=1S/C16H24ClNO2/c1-11-7-8-15(12(11)2)18-9-13(19)10-20-16-6-4-3-5-14(16)17/h3-6,11-13,15,18-19H,7-10H2,1-2H3
InChIKeyLVCFLJAFUDXUSK-UHFFFAOYSA-N
XLogP3.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-dimethylcyclohexyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 63995477
1-(2-chlorophenoxy)-3-(1-cyclohexylethylamino)propan-2-ol
CID 62406462
1-(2-chlorophenoxy)-3-[[(1S)-1-cyclohexylethyl]amino]propan-2-ol
CID 81388789
(2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 51422995
1-(2-chlorophenoxy)-3-[1-(oxan-4-yl)ethylamino]propan-2-ol
CID 103914754
1-(2-chlorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 18823227
N-[3-(2-chlorophenoxy)-2-methylpropyl]cyclopropanamine
CID 62454591
1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol
CID 60898981
(2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol
CID 2141740
1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol
CID 112768285
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
CID 62517973

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenoxy)-3-[(2,3-dimethylcyclopentyl)amino]propan-2-ol?
The IUPAC name of 1-(2-chlorophenoxy)-3-[(2,3-dimethylcyclopentyl)amino]propan-2-ol (CID 64909777) is 1-(2-chlorophenoxy)-3-[(2,3-dimethylcyclopentyl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-chlorophenoxy)-3-[(2,3-dimethylcyclopentyl)amino]propan-2-ol?
The canonical SMILES for 1-(2-chlorophenoxy)-3-[(2,3-dimethylcyclopentyl)amino]propan-2-ol is CC1CCC(NCC(O)COc2ccccc2Cl)C1C.
What is the InChIKey of 1-(2-chlorophenoxy)-3-[(2,3-dimethylcyclopentyl)amino]propan-2-ol?
The InChIKey is LVCFLJAFUDXUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-11-7-8-15(12(11)2)18-9-13(19)10-20-16-6-4-3-5-14(16)17/h3-6,11-13,15,18-19H,7-10H2,1-2H3.
What are the key properties of 1-(2-chlorophenoxy)-3-[(2,3-dimethylcyclopentyl)amino]propan-2-ol?
1-(2-chlorophenoxy)-3-[(2,3-dimethylcyclopentyl)amino]propan-2-ol has a molecular weight of 297.83 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenoxy)-3-[(2,3-dimethylcyclopentyl)amino]propan-2-ol is sourced from PubChem (CID 64909777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).