(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(4-methyl-6-propan-2-yloxy-3-pyridinyl)ethanol

C17H20Cl2N2O2 — CID 46893838

IUPAC(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(4-methyl-6-propan-2-yloxy-3-pyridinyl)ethanol
SMILESCc1cc(OC(C)C)ncc1[C@@H](O)[C@@H](N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H20Cl2N2O2/c1-9(2)23-15-6-10(3)12(8-21-15)17(22)16(20)11-4-5-13(18)14(19)7-11/h4-9,16-17,22H,20H2,1-3H3/t16-,17+/m0/s1
InChIKeyCXOQOIZUSFMWDQ-DLBZAZTESA-N
MW355.27 g/mol
LogP4.22
Rot. Bonds5

About (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(4-methyl-6-propan-2-yloxy-3-pyridinyl)ethanol

(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(4-methyl-6-propan-2-yloxy-3-pyridinyl)ethanol (PubChem CID 46893838) has the molecular formula C17H20Cl2N2O2 and a molecular weight of 355.27 g/mol. Its IUPAC name is (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(4-methyl-6-propan-2-yloxy-3-pyridinyl)ethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(4-methyl-6-propan-2-yloxy-3-pyridinyl)ethanol
PubChem CID46893838
Molecular FormulaC17H20Cl2N2O2
Molecular Weight355.27 g/mol
Exact Mass354.09
IUPAC Name(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(4-methyl-6-propan-2-yloxy-3-pyridinyl)ethanol
SMILESCc1cc(OC(C)C)ncc1[C@@H](O)[C@@H](N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H20Cl2N2O2/c1-9(2)23-15-6-10(3)12(8-21-15)17(22)16(20)11-4-5-13(18)14(19)7-11/h4-9,16-17,22H,20H2,1-3H3/t16-,17+/m0/s1
InChIKeyCXOQOIZUSFMWDQ-DLBZAZTESA-N
XLogP4.22
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(4-methyl-6-propan-2-yloxy-3-pyridinyl)ethanol?
The IUPAC name of (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(4-methyl-6-propan-2-yloxy-3-pyridinyl)ethanol (CID 46893838) is (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(4-methyl-6-propan-2-yloxy-3-pyridinyl)ethanol.
What is the SMILES notation for (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(4-methyl-6-propan-2-yloxy-3-pyridinyl)ethanol?
The canonical SMILES for (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(4-methyl-6-propan-2-yloxy-3-pyridinyl)ethanol is Cc1cc(OC(C)C)ncc1[C@@H](O)[C@@H](N)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(4-methyl-6-propan-2-yloxy-3-pyridinyl)ethanol?
The InChIKey is CXOQOIZUSFMWDQ-DLBZAZTESA-N. The full InChI is InChI=1S/C17H20Cl2N2O2/c1-9(2)23-15-6-10(3)12(8-21-15)17(22)16(20)11-4-5-13(18)14(19)7-11/h4-9,16-17,22H,20H2,1-3H3/t16-,17+/m0/s1.
What are the key properties of (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(4-methyl-6-propan-2-yloxy-3-pyridinyl)ethanol?
(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(4-methyl-6-propan-2-yloxy-3-pyridinyl)ethanol has a molecular weight of 355.27 g/mol, XLogP of 4.22, 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-methyl-6-propan-2-yloxy-3-pyridinyl)ethanol is sourced from PubChem (CID 46893838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).