N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine

C15H23ClN2O2 — CID 62288591

IUPACN-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc(OC2CCOCC2)ccc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-11(2)9-17-10-14-13(16)3-4-15(18-14)20-12-5-7-19-8-6-12/h3-4,11-12,17H,5-10H2,1-2H3
InChIKeyCCLAKRXBVBUXMY-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.04
Rot. Bonds6

About N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 62288591) 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-1-amine.

Molecular Properties

Compound NameN-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID62288591
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc(OC2CCOCC2)ccc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-11(2)9-17-10-14-13(16)3-4-15(18-14)20-12-5-7-19-8-6-12/h3-4,11-12,17H,5-10H2,1-2H3
InChIKeyCCLAKRXBVBUXMY-UHFFFAOYSA-N
XLogP3.04
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[[3-chloro-6-(oxan-4-ylmethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62386003
N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62288590
N-[[3-chloro-6-(cyclopentylmethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 66324406
N-[[3-chloro-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 115954788
3-chloro-2-fluoro-6-(oxan-4-yloxy)pyridine
CID 125116478
N-[(3-chloro-6-morpholin-4-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62285577
2-methyl-N-[[5-(oxan-4-yloxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381295
N-[[3-chloro-6-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 63488284
N-[(3-chloro-6-heptoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 63488450
2-methyl-N-[[6-(oxolan-3-yloxy)-2-pyridinyl]methyl]propan-1-amine
CID 63557509
5-chloro-N-methyl-6-[(2-methylpropylamino)methyl]-N-(oxolan-3-yl)pyridin-2-amine
CID 82754697
N-[[3-chloro-6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64600643

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine (CID 62288591) is N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1nc(OC2CCOCC2)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is CCLAKRXBVBUXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-11(2)9-17-10-14-13(16)3-4-15(18-14)20-12-5-7-19-8-6-12/h3-4,11-12,17H,5-10H2,1-2H3.
What are the key properties of N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 298.81 g/mol, XLogP of 3.04, 6 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-1-amine is sourced from PubChem (CID 62288591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).