N-[[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine

C15H23ClN2O2 — CID 114928546

IUPACN-[[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(OCC2CCOC2)ncc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-15(2,3)18-7-12-6-14(17-8-13(12)16)20-10-11-4-5-19-9-11/h6,8,11,18H,4-5,7,9-10H2,1-3H3
InChIKeyVCXFOMZDYZVTOK-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.04
Rot. Bonds5

About N-[[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 114928546) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-[[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID114928546
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-[[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(OCC2CCOC2)ncc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-15(2,3)18-7-12-6-14(17-8-13(12)16)20-10-11-4-5-19-9-11/h6,8,11,18H,4-5,7,9-10H2,1-3H3
InChIKeyVCXFOMZDYZVTOK-UHFFFAOYSA-N
XLogP3.04
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

N-[[5-chloro-2-(cyclohexylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114928593
[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methanamine
CID 114928548
N-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine
CID 114927869
N-[[3,5-dibromo-4-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107743716
5-chloro-2-(oxolan-3-ylmethoxy)pyridine
CID 66234571
N-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114927691
N-[[5-chloro-2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927846
N-[[3-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056604
N-[[5-chloro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114925543
N-[[5-chloro-2-(cyclohexylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114928598
2-methyl-N-[[4-(oxan-4-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250387
N-[[5-chloro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114928209

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine (CID 114928546) is N-[[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cc(OCC2CCOC2)ncc1Cl.
What is the InChIKey of N-[[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is VCXFOMZDYZVTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-15(2,3)18-7-12-6-14(17-8-13(12)16)20-10-11-4-5-19-9-11/h6,8,11,18H,4-5,7,9-10H2,1-3H3.
What are the key properties of N-[[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 298.81 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114928546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).