1-[4-(6-amino-2-pyridinyl)-3-propan-2-ylphenyl]-2-(dimethylamino)ethanol

C18H25N3O — CID 150288863

IUPAC1-[4-(6-amino-2-pyridinyl)-3-propan-2-ylphenyl]-2-(dimethylamino)ethanol
SMILESCC(C)c1cc(C(O)CN(C)C)ccc1-c1cccc(N)n1
InChIInChI=1S/C18H25N3O/c1-12(2)15-10-13(17(22)11-21(3)4)8-9-14(15)16-6-5-7-18(19)20-16/h5-10,12,17,22H,11H2,1-4H3,(H2,19,20)
InChIKeyGHDSHWUKTPYTKY-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.05
Rot. Bonds5

About 1-[4-(6-amino-2-pyridinyl)-3-propan-2-ylphenyl]-2-(dimethylamino)ethanol

1-[4-(6-amino-2-pyridinyl)-3-propan-2-ylphenyl]-2-(dimethylamino)ethanol (PubChem CID 150288863) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-[4-(6-amino-2-pyridinyl)-3-propan-2-ylphenyl]-2-(dimethylamino)ethanol.

Molecular Properties

Compound Name1-[4-(6-amino-2-pyridinyl)-3-propan-2-ylphenyl]-2-(dimethylamino)ethanol
PubChem CID150288863
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-[4-(6-amino-2-pyridinyl)-3-propan-2-ylphenyl]-2-(dimethylamino)ethanol
SMILESCC(C)c1cc(C(O)CN(C)C)ccc1-c1cccc(N)n1
InChIInChI=1S/C18H25N3O/c1-12(2)15-10-13(17(22)11-21(3)4)8-9-14(15)16-6-5-7-18(19)20-16/h5-10,12,17,22H,11H2,1-4H3,(H2,19,20)
InChIKeyGHDSHWUKTPYTKY-UHFFFAOYSA-N
XLogP3.05
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-amino-2-pyridinyl)-3-propan-2-ylphenyl]-2-(dimethylamino)ethanol?
The IUPAC name of 1-[4-(6-amino-2-pyridinyl)-3-propan-2-ylphenyl]-2-(dimethylamino)ethanol (CID 150288863) is 1-[4-(6-amino-2-pyridinyl)-3-propan-2-ylphenyl]-2-(dimethylamino)ethanol.
What is the SMILES notation for 1-[4-(6-amino-2-pyridinyl)-3-propan-2-ylphenyl]-2-(dimethylamino)ethanol?
The canonical SMILES for 1-[4-(6-amino-2-pyridinyl)-3-propan-2-ylphenyl]-2-(dimethylamino)ethanol is CC(C)c1cc(C(O)CN(C)C)ccc1-c1cccc(N)n1.
What is the InChIKey of 1-[4-(6-amino-2-pyridinyl)-3-propan-2-ylphenyl]-2-(dimethylamino)ethanol?
The InChIKey is GHDSHWUKTPYTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-12(2)15-10-13(17(22)11-21(3)4)8-9-14(15)16-6-5-7-18(19)20-16/h5-10,12,17,22H,11H2,1-4H3,(H2,19,20).
What are the key properties of 1-[4-(6-amino-2-pyridinyl)-3-propan-2-ylphenyl]-2-(dimethylamino)ethanol?
1-[4-(6-amino-2-pyridinyl)-3-propan-2-ylphenyl]-2-(dimethylamino)ethanol has a molecular weight of 299.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-amino-2-pyridinyl)-3-propan-2-ylphenyl]-2-(dimethylamino)ethanol is sourced from PubChem (CID 150288863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).