(1S,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(5-propan-2-yloxy-2-pyridinyl)ethanol

C16H18Cl2N2O2 — CID 59446321

IUPAC(1S,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(5-propan-2-yloxy-2-pyridinyl)ethanol
SMILESCC(C)Oc1ccc([C@@H](O)[C@@H](N)c2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C16H18Cl2N2O2/c1-9(2)22-11-4-6-14(20-8-11)16(21)15(19)10-3-5-12(17)13(18)7-10/h3-9,15-16,21H,19H2,1-2H3/t15-,16+/m0/s1
InChIKeyHZPVMUTVVLIIHN-JKSUJKDBSA-N
MW341.24 g/mol
LogP3.91
Rot. Bonds5

About (1S,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(5-propan-2-yloxy-2-pyridinyl)ethanol

(1S,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(5-propan-2-yloxy-2-pyridinyl)ethanol (PubChem CID 59446321) has the molecular formula C16H18Cl2N2O2 and a molecular weight of 341.24 g/mol. Its IUPAC name is (1S,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(5-propan-2-yloxy-2-pyridinyl)ethanol.

Molecular Properties

Compound Name(1S,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(5-propan-2-yloxy-2-pyridinyl)ethanol
PubChem CID59446321
Molecular FormulaC16H18Cl2N2O2
Molecular Weight341.24 g/mol
Exact Mass340.07
IUPAC Name(1S,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(5-propan-2-yloxy-2-pyridinyl)ethanol
SMILESCC(C)Oc1ccc([C@@H](O)[C@@H](N)c2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C16H18Cl2N2O2/c1-9(2)22-11-4-6-14(20-8-11)16(21)15(19)10-3-5-12(17)13(18)7-10/h3-9,15-16,21H,19H2,1-2H3/t15-,16+/m0/s1
InChIKeyHZPVMUTVVLIIHN-JKSUJKDBSA-N
XLogP3.91
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(5-propan-2-yloxy-2-pyridinyl)ethanol?
The IUPAC name of (1S,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(5-propan-2-yloxy-2-pyridinyl)ethanol (CID 59446321) is (1S,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(5-propan-2-yloxy-2-pyridinyl)ethanol.
What is the SMILES notation for (1S,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(5-propan-2-yloxy-2-pyridinyl)ethanol?
The canonical SMILES for (1S,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(5-propan-2-yloxy-2-pyridinyl)ethanol is CC(C)Oc1ccc([C@@H](O)[C@@H](N)c2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of (1S,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(5-propan-2-yloxy-2-pyridinyl)ethanol?
The InChIKey is HZPVMUTVVLIIHN-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2/c1-9(2)22-11-4-6-14(20-8-11)16(21)15(19)10-3-5-12(17)13(18)7-10/h3-9,15-16,21H,19H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of (1S,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(5-propan-2-yloxy-2-pyridinyl)ethanol?
(1S,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(5-propan-2-yloxy-2-pyridinyl)ethanol has a molecular weight of 341.24 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-amino-2-(3,4-dichlorophenyl)-1-(5-propan-2-yloxy-2-pyridinyl)ethanol is sourced from PubChem (CID 59446321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).