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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tulobuterol
CID 5606
Dichloroisoproterenol
CID 5806
Clorprenaline
CID 2810
Radafaxine
CID 9795056
Tulobuterol Hydrochloride
CID 5702285
(2R,3R)-2-(3-chlorophenyl)-3,5,5-trimethyl-2-morpholinol
CID 9943908
Benzenemethanol, 2-chloro-alpha-(((1-methylethyl)amino)methyl)-, hydrochloride (1:1)
CID 23360
rel-(alphaR)-3-Chloro-alpha-((1R)-1-((1,1-dimethylethyl)amino)ethyl)benzenemethanol
CID 9834682
2-(3-Chlorophenyl)-3,5,5-trimethyl-2-morpholinol
CID 9837966
2-(tert-Butylamino)-1-(3-chlorophenyl)propan-1-ol
CID 445
(1R,2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol
CID 9943534
Clorprenaline Hydrochloride
CID 21784

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).