(1R)-1-[5-(N,3-dimethylanilino)-2-pyridinyl]ethanol

C15H18N2O — CID 83132483

IUPAC(1R)-1-[5-(N,3-dimethylanilino)-2-pyridinyl]ethanol
SMILESCc1cccc(N(C)c2ccc([C@@H](C)O)nc2)c1
InChIInChI=1S/C15H18N2O/c1-11-5-4-6-13(9-11)17(3)14-7-8-15(12(2)18)16-10-14/h4-10,12,18H,1-3H3/t12-/m1/s1
InChIKeyBRAZRTFFOJGWTB-GFCCVEGCSA-N
MW242.32 g/mol
LogP3.21
Rot. Bonds3

About (1R)-1-[5-(N,3-dimethylanilino)-2-pyridinyl]ethanol

(1R)-1-[5-(N,3-dimethylanilino)-2-pyridinyl]ethanol (PubChem CID 83132483) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (1R)-1-[5-(N,3-dimethylanilino)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-(N,3-dimethylanilino)-2-pyridinyl]ethanol
PubChem CID83132483
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(1R)-1-[5-(N,3-dimethylanilino)-2-pyridinyl]ethanol
SMILESCc1cccc(N(C)c2ccc([C@@H](C)O)nc2)c1
InChIInChI=1S/C15H18N2O/c1-11-5-4-6-13(9-11)17(3)14-7-8-15(12(2)18)16-10-14/h4-10,12,18H,1-3H3/t12-/m1/s1
InChIKeyBRAZRTFFOJGWTB-GFCCVEGCSA-N
XLogP3.21
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(N,3-dimethylanilino)-2-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[5-(N,3-dimethylanilino)-2-pyridinyl]ethanol (CID 83132483) is (1R)-1-[5-(N,3-dimethylanilino)-2-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[5-(N,3-dimethylanilino)-2-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[5-(N,3-dimethylanilino)-2-pyridinyl]ethanol is Cc1cccc(N(C)c2ccc([C@@H](C)O)nc2)c1.
What is the InChIKey of (1R)-1-[5-(N,3-dimethylanilino)-2-pyridinyl]ethanol?
The InChIKey is BRAZRTFFOJGWTB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-5-4-6-13(9-11)17(3)14-7-8-15(12(2)18)16-10-14/h4-10,12,18H,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[5-(N,3-dimethylanilino)-2-pyridinyl]ethanol?
(1R)-1-[5-(N,3-dimethylanilino)-2-pyridinyl]ethanol has a molecular weight of 242.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(N,3-dimethylanilino)-2-pyridinyl]ethanol is sourced from PubChem (CID 83132483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).