1-[3-amino-5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]-2-methylpropan-1-ol

C18H22N2O2 — CID 176582708

IUPAC1-[3-amino-5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1ncc(-c2cccc(C3COC3)c2)cc1N
InChIInChI=1S/C18H22N2O2/c1-11(2)18(21)17-16(19)7-14(8-20-17)12-4-3-5-13(6-12)15-9-22-10-15/h3-8,11,15,18,21H,9-10,19H2,1-2H3
InChIKeyLTTHKDFJCYCFSQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.13
Rot. Bonds4

About 1-[3-amino-5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]-2-methylpropan-1-ol

1-[3-amino-5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]-2-methylpropan-1-ol (PubChem CID 176582708) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[3-amino-5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[3-amino-5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]-2-methylpropan-1-ol
PubChem CID176582708
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[3-amino-5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1ncc(-c2cccc(C3COC3)c2)cc1N
InChIInChI=1S/C18H22N2O2/c1-11(2)18(21)17-16(19)7-14(8-20-17)12-4-3-5-13(6-12)15-9-22-10-15/h3-8,11,15,18,21H,9-10,19H2,1-2H3
InChIKeyLTTHKDFJCYCFSQ-UHFFFAOYSA-N
XLogP3.13
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[3-(oxetan-3-yl)phenyl]pyrazol-5-amine
CID 117330808
3-(3-methoxyphenyl)oxetane
CID 130113867
2-amino-1-[4-(oxetan-3-yl)phenyl]propan-1-ol
CID 112710041
5-(oxan-4-yl)-2-propan-2-ylpyridin-3-amine
CID 83917616
1-[3-amino-5-(3-fluorophenyl)-2-pyridinyl]-2-methylpropan-1-one
CID 176580025
tert-butyl N-[5-(3-cyclopropylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]carbamate
CID 176579345
5-(oxetan-3-yl)pyridin-2-amine
CID 154705983
1-[3-(oxetan-3-yl)phenyl]cyclopropan-1-amine
CID 84771178
5-(3-cyclopropylphenyl)-3-propan-2-ylimidazol-4-amine
CID 79980676
2-methyl-2-[3-(oxetan-3-yl)phenyl]propan-1-ol
CID 117295101
(2S,3R)-2-[5-(3-cyclobutylphenyl)-3-pyridinyl]oxolan-3-amine
CID 138045902
N-[5-(3-cyclopropylphenyl)-2-formyl-3-pyridinyl]acetamide
CID 176582558

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]-2-methylpropan-1-ol?
The IUPAC name of 1-[3-amino-5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]-2-methylpropan-1-ol (CID 176582708) is 1-[3-amino-5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[3-amino-5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[3-amino-5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]-2-methylpropan-1-ol is CC(C)C(O)c1ncc(-c2cccc(C3COC3)c2)cc1N.
What is the InChIKey of 1-[3-amino-5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]-2-methylpropan-1-ol?
The InChIKey is LTTHKDFJCYCFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-11(2)18(21)17-16(19)7-14(8-20-17)12-4-3-5-13(6-12)15-9-22-10-15/h3-8,11,15,18,21H,9-10,19H2,1-2H3.
What are the key properties of 1-[3-amino-5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]-2-methylpropan-1-ol?
1-[3-amino-5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]-2-methylpropan-1-ol has a molecular weight of 298.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]-2-methylpropan-1-ol is sourced from PubChem (CID 176582708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).