1-(2,5-dichlorophenyl)-2-[(2,2-dimethyloxan-4-yl)amino]ethanol

C15H21Cl2NO2 — CID 83033246

IUPAC1-(2,5-dichlorophenyl)-2-[(2,2-dimethyloxan-4-yl)amino]ethanol
SMILESCC1(C)CC(NCC(O)c2cc(Cl)ccc2Cl)CCO1
InChIInChI=1S/C15H21Cl2NO2/c1-15(2)8-11(5-6-20-15)18-9-14(19)12-7-10(16)3-4-13(12)17/h3-4,7,11,14,18-19H,5-6,8-9H2,1-2H3
InChIKeyADCGFFIAHZYJNM-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.57
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-2-[(2,2-dimethyloxan-4-yl)amino]ethanol

1-(2,5-dichlorophenyl)-2-[(2,2-dimethyloxan-4-yl)amino]ethanol (PubChem CID 83033246) has the molecular formula C15H21Cl2NO2 and a molecular weight of 318.24 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-[(2,2-dimethyloxan-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-[(2,2-dimethyloxan-4-yl)amino]ethanol
PubChem CID83033246
Molecular FormulaC15H21Cl2NO2
Molecular Weight318.24 g/mol
Exact Mass317.09
IUPAC Name1-(2,5-dichlorophenyl)-2-[(2,2-dimethyloxan-4-yl)amino]ethanol
SMILESCC1(C)CC(NCC(O)c2cc(Cl)ccc2Cl)CCO1
InChIInChI=1S/C15H21Cl2NO2/c1-15(2)8-11(5-6-20-15)18-9-14(19)12-7-10(16)3-4-13(12)17/h3-4,7,11,14,18-19H,5-6,8-9H2,1-2H3
InChIKeyADCGFFIAHZYJNM-UHFFFAOYSA-N
XLogP3.57
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-[(2,2-dimethyloxan-4-yl)amino]ethanol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-[(2,2-dimethyloxan-4-yl)amino]ethanol (CID 83033246) is 1-(2,5-dichlorophenyl)-2-[(2,2-dimethyloxan-4-yl)amino]ethanol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-[(2,2-dimethyloxan-4-yl)amino]ethanol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-[(2,2-dimethyloxan-4-yl)amino]ethanol is CC1(C)CC(NCC(O)c2cc(Cl)ccc2Cl)CCO1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-[(2,2-dimethyloxan-4-yl)amino]ethanol?
The InChIKey is ADCGFFIAHZYJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO2/c1-15(2)8-11(5-6-20-15)18-9-14(19)12-7-10(16)3-4-13(12)17/h3-4,7,11,14,18-19H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-[(2,2-dimethyloxan-4-yl)amino]ethanol?
1-(2,5-dichlorophenyl)-2-[(2,2-dimethyloxan-4-yl)amino]ethanol has a molecular weight of 318.24 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-[(2,2-dimethyloxan-4-yl)amino]ethanol is sourced from PubChem (CID 83033246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).