N-[[3-chloro-6-(3-methoxyphenoxy)-2-pyridinyl]methyl]ethanamine

C15H17ClN2O2 — CID 62295705

IUPACN-[[3-chloro-6-(3-methoxyphenoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(Oc2cccc(OC)c2)ccc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-3-17-10-14-13(16)7-8-15(18-14)20-12-6-4-5-11(9-12)19-2/h4-9,17H,3,10H2,1-2H3
InChIKeyXVXRTJCYRCNJIP-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.65
Rot. Bonds6

About N-[[3-chloro-6-(3-methoxyphenoxy)-2-pyridinyl]methyl]ethanamine

N-[[3-chloro-6-(3-methoxyphenoxy)-2-pyridinyl]methyl]ethanamine (PubChem CID 62295705) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-[[3-chloro-6-(3-methoxyphenoxy)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-6-(3-methoxyphenoxy)-2-pyridinyl]methyl]ethanamine
PubChem CID62295705
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-[[3-chloro-6-(3-methoxyphenoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(Oc2cccc(OC)c2)ccc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-3-17-10-14-13(16)7-8-15(18-14)20-12-6-4-5-11(9-12)19-2/h4-9,17H,3,10H2,1-2H3
InChIKeyXVXRTJCYRCNJIP-UHFFFAOYSA-N
XLogP3.65
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 63487984
N-[[3-chloro-6-(4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 55058553
1-[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62297032
N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928088
[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]methanol
CID 61257718
1-[3-chloro-6-(3-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62298099
N-[[3-chloro-6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 62297317
N-[[6-(3-bromo-5-fluorophenoxy)-3-chloro-2-pyridinyl]methyl]ethanamine
CID 81325689
N-[[3-chloro-6-(2-phenoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 62292539
N-[[3-chloro-6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62323575
N-[[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine
CID 62291644
N-[[6-(3-chlorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 62323929

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(3-methoxyphenoxy)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-6-(3-methoxyphenoxy)-2-pyridinyl]methyl]ethanamine (CID 62295705) is N-[[3-chloro-6-(3-methoxyphenoxy)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-6-(3-methoxyphenoxy)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-6-(3-methoxyphenoxy)-2-pyridinyl]methyl]ethanamine is CCNCc1nc(Oc2cccc(OC)c2)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-(3-methoxyphenoxy)-2-pyridinyl]methyl]ethanamine?
The InChIKey is XVXRTJCYRCNJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-17-10-14-13(16)7-8-15(18-14)20-12-6-4-5-11(9-12)19-2/h4-9,17H,3,10H2,1-2H3.
What are the key properties of N-[[3-chloro-6-(3-methoxyphenoxy)-2-pyridinyl]methyl]ethanamine?
N-[[3-chloro-6-(3-methoxyphenoxy)-2-pyridinyl]methyl]ethanamine has a molecular weight of 292.77 g/mol, XLogP of 3.65, 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-(3-methoxyphenoxy)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62295705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).