(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxolan-3-yloxy)phenyl]ethanol

C18H19Cl2NO3 — CID 46892293

IUPAC(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxolan-3-yloxy)phenyl]ethanol
SMILESN[C@@H](c1ccc(Cl)c(Cl)c1)[C@H](O)c1ccc(OC2CCOC2)cc1
InChIInChI=1S/C18H19Cl2NO3/c19-15-6-3-12(9-16(15)20)17(21)18(22)11-1-4-13(5-2-11)24-14-7-8-23-10-14/h1-6,9,14,17-18,22H,7-8,10,21H2/t14?,17-,18+/m0/s1
InChIKeyCAZHCGQQPGUKTJ-CXRLMVSZSA-N
MW368.26 g/mol
LogP3.89
Rot. Bonds5

About (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxolan-3-yloxy)phenyl]ethanol

(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxolan-3-yloxy)phenyl]ethanol (PubChem CID 46892293) has the molecular formula C18H19Cl2NO3 and a molecular weight of 368.26 g/mol. Its IUPAC name is (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxolan-3-yloxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxolan-3-yloxy)phenyl]ethanol
PubChem CID46892293
Molecular FormulaC18H19Cl2NO3
Molecular Weight368.26 g/mol
Exact Mass367.07
IUPAC Name(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxolan-3-yloxy)phenyl]ethanol
SMILESN[C@@H](c1ccc(Cl)c(Cl)c1)[C@H](O)c1ccc(OC2CCOC2)cc1
InChIInChI=1S/C18H19Cl2NO3/c19-15-6-3-12(9-16(15)20)17(21)18(22)11-1-4-13(5-2-11)24-14-7-8-23-10-14/h1-6,9,14,17-18,22H,7-8,10,21H2/t14?,17-,18+/m0/s1
InChIKeyCAZHCGQQPGUKTJ-CXRLMVSZSA-N
XLogP3.89
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxolan-3-yloxy)phenyl]ethanol with MolForge

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Related Compounds

(1S,2R)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxolan-3-yloxy)phenyl]ethanol
CID 46892294
(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[5-methyl-6-(oxolan-3-yloxy)-3-pyridinyl]ethanol;hydrochloride
CID 162309530
(1S,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[5-(oxan-4-yloxy)-2-pyridinyl]ethanol
CID 59446314
(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[2-methyl-6-(oxolan-3-yloxy)-3-pyridinyl]ethanol;dihydrochloride
CID 46893170
2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxan-4-ylmethoxy)phenyl]ethanol
CID 75228946
(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[6-(oxan-4-yloxy)-3-pyridinyl]ethanol;dihydrochloride
CID 46893563
2-amino-1-[4-(cyclopropylmethoxy)phenyl]-2-(3,4-dichlorophenyl)ethanol
CID 75229002
1-[4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556855
(3S)-3-(4-propan-2-ylphenoxy)oxolane
CID 59112216
(1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride
CID 175741673
(1S,2R)-2-amino-2-(3,4-dichlorophenyl)-1-(4-trimethylsilylphenyl)ethanol
CID 46892022
(3,4-dichlorophenyl)-(oxolan-3-yl)methanamine
CID 61273204

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxolan-3-yloxy)phenyl]ethanol?
The IUPAC name of (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxolan-3-yloxy)phenyl]ethanol (CID 46892293) is (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxolan-3-yloxy)phenyl]ethanol.
What is the SMILES notation for (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxolan-3-yloxy)phenyl]ethanol?
The canonical SMILES for (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxolan-3-yloxy)phenyl]ethanol is N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H](O)c1ccc(OC2CCOC2)cc1.
What is the InChIKey of (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxolan-3-yloxy)phenyl]ethanol?
The InChIKey is CAZHCGQQPGUKTJ-CXRLMVSZSA-N. The full InChI is InChI=1S/C18H19Cl2NO3/c19-15-6-3-12(9-16(15)20)17(21)18(22)11-1-4-13(5-2-11)24-14-7-8-23-10-14/h1-6,9,14,17-18,22H,7-8,10,21H2/t14?,17-,18+/m0/s1.
What are the key properties of (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxolan-3-yloxy)phenyl]ethanol?
(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxolan-3-yloxy)phenyl]ethanol has a molecular weight of 368.26 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxolan-3-yloxy)phenyl]ethanol is sourced from PubChem (CID 46892293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).