N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine

C15H23ClN2O2 — CID 62288590

IUPACN-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nc(OC2CCOCC2)ccc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-15(2,3)17-10-13-12(16)4-5-14(18-13)20-11-6-8-19-9-7-11/h4-5,11,17H,6-10H2,1-3H3
InChIKeySLTUYHHSKONBHU-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.18
Rot. Bonds4

About N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 62288590) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID62288590
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nc(OC2CCOCC2)ccc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-15(2,3)17-10-13-12(16)4-5-14(18-13)20-11-6-8-19-9-7-11/h4-5,11,17H,6-10H2,1-3H3
InChIKeySLTUYHHSKONBHU-UHFFFAOYSA-N
XLogP3.18
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 62288590) is N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1nc(OC2CCOCC2)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is SLTUYHHSKONBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-15(2,3)17-10-13-12(16)4-5-14(18-13)20-11-6-8-19-9-7-11/h4-5,11,17H,6-10H2,1-3H3.
What are the key properties of N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 298.81 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62288590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).