2-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-6-methylpyridin-3-ol

C19H23ClN2O2 — CID 119124472

IUPAC2-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNCC2(c3ccccc3Cl)CCOCC2)n1
InChIInChI=1S/C19H23ClN2O2/c1-14-6-7-18(23)17(22-14)12-21-13-19(8-10-24-11-9-19)15-4-2-3-5-16(15)20/h2-7,21,23H,8-13H2,1H3
InChIKeyQXMFEWZIFPWRGD-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.59
Rot. Bonds5

About 2-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-6-methylpyridin-3-ol

2-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-6-methylpyridin-3-ol (PubChem CID 119124472) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-6-methylpyridin-3-ol
PubChem CID119124472
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name2-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNCC2(c3ccccc3Cl)CCOCC2)n1
InChIInChI=1S/C19H23ClN2O2/c1-14-6-7-18(23)17(22-14)12-21-13-19(8-10-24-11-9-19)15-4-2-3-5-16(15)20/h2-7,21,23H,8-13H2,1H3
InChIKeyQXMFEWZIFPWRGD-UHFFFAOYSA-N
XLogP3.59
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-6-methylpyridin-3-ol (CID 119124472) is 2-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNCC2(c3ccccc3Cl)CCOCC2)n1.
What is the InChIKey of 2-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-6-methylpyridin-3-ol?
The InChIKey is QXMFEWZIFPWRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-14-6-7-18(23)17(22-14)12-21-13-19(8-10-24-11-9-19)15-4-2-3-5-16(15)20/h2-7,21,23H,8-13H2,1H3.
What are the key properties of 2-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-6-methylpyridin-3-ol?
2-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-6-methylpyridin-3-ol has a molecular weight of 346.86 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 119124472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).