N-[[5-chloro-2-(2,5-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine

C16H19ClN2O — CID 114928165

IUPACN-[[5-chloro-2-(2,5-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(Oc2cc(C)ccc2C)ncc1Cl
InChIInChI=1S/C16H19ClN2O/c1-4-18-9-13-8-16(19-10-14(13)17)20-15-7-11(2)5-6-12(15)3/h5-8,10,18H,4,9H2,1-3H3
InChIKeyNDLFKEJTVJJIGF-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.25
Rot. Bonds5

About N-[[5-chloro-2-(2,5-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine

N-[[5-chloro-2-(2,5-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine (PubChem CID 114928165) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[[5-chloro-2-(2,5-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2,5-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine
PubChem CID114928165
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[[5-chloro-2-(2,5-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(Oc2cc(C)ccc2C)ncc1Cl
InChIInChI=1S/C16H19ClN2O/c1-4-18-9-13-8-16(19-10-14(13)17)20-15-7-11(2)5-6-12(15)3/h5-8,10,18H,4,9H2,1-3H3
InChIKeyNDLFKEJTVJJIGF-UHFFFAOYSA-N
XLogP4.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-chloro-2-(2,5-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

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-(2-chloro-5-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928457
N-[[5-chloro-2-(2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928202
1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928615
N-[[3-chloro-6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 62297317
N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928088
N-[[5-chloro-2-(2-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928120
N-[[2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine
CID 107285698
N-[[3-(2-chloro-5-methylphenoxy)-4-methylphenyl]methyl]ethanamine
CID 105407022
N-[[5-chloro-2-(2-methylpropoxy)-4-pyridinyl]methyl]ethanamine
CID 114927663
N-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62672744

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2,5-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-2-(2,5-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine (CID 114928165) is N-[[5-chloro-2-(2,5-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-2-(2,5-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-2-(2,5-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine is CCNCc1cc(Oc2cc(C)ccc2C)ncc1Cl.
What is the InChIKey of N-[[5-chloro-2-(2,5-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine?
The InChIKey is NDLFKEJTVJJIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-4-18-9-13-8-16(19-10-14(13)17)20-15-7-11(2)5-6-12(15)3/h5-8,10,18H,4,9H2,1-3H3.
What are the key properties of N-[[5-chloro-2-(2,5-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine?
N-[[5-chloro-2-(2,5-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine has a molecular weight of 290.79 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2,5-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 114928165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).