N-[[5-chloro-2-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methyl]ethanamine

C15H23ClN2O2 — CID 114929062

IUPACN-[[5-chloro-2-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(OC2CC(C)OC(C)C2)ncc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-4-17-8-12-7-15(18-9-14(12)16)20-13-5-10(2)19-11(3)6-13/h7,9-11,13,17H,4-6,8H2,1-3H3
InChIKeyVOYVEUGICSZFAO-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.18
Rot. Bonds5

About N-[[5-chloro-2-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methyl]ethanamine

N-[[5-chloro-2-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methyl]ethanamine (PubChem CID 114929062) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-[[5-chloro-2-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methyl]ethanamine
PubChem CID114929062
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-[[5-chloro-2-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(OC2CC(C)OC(C)C2)ncc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-4-17-8-12-7-15(18-9-14(12)16)20-13-5-10(2)19-11(3)6-13/h7,9-11,13,17H,4-6,8H2,1-3H3
InChIKeyVOYVEUGICSZFAO-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-chloro-2-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

2-[(2S,6R)-2,6-dimethyloxan-4-yl]oxy-5-ethyl-4-methylpyridine
CID 176666936
1-[5-chloro-2-(3,4-dimethylcyclohexyl)oxy-4-pyridinyl]-N-methylmethanamine
CID 114928773
N-[[5-chloro-2-(2-methylpropoxy)-4-pyridinyl]methyl]ethanamine
CID 114927663
N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]ethanamine
CID 114928248
N-[[5-chloro-2-(2,5-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928165
N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928088
N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927656
N-[[5-(3,5-dimethylcyclohexyl)oxypyrazin-2-yl]methyl]ethanamine
CID 107382222
N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928781
N-[[5-chloro-2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114927929
N-[[5-chloro-2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]ethanamine
CID 114926454
N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]cyclopropanamine
CID 114927655

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-2-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methyl]ethanamine (CID 114929062) is N-[[5-chloro-2-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-2-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-2-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methyl]ethanamine is CCNCc1cc(OC2CC(C)OC(C)C2)ncc1Cl.
What is the InChIKey of N-[[5-chloro-2-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methyl]ethanamine?
The InChIKey is VOYVEUGICSZFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-4-17-8-12-7-15(18-9-14(12)16)20-13-5-10(2)19-11(3)6-13/h7,9-11,13,17H,4-6,8H2,1-3H3.
What are the key properties of N-[[5-chloro-2-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methyl]ethanamine?
N-[[5-chloro-2-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methyl]ethanamine has a molecular weight of 298.81 g/mol, XLogP of 3.18, 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-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 114929062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).