N-[[2-(2-chlorophenoxy)-4-pyridinyl]methyl]ethanamine

C14H15ClN2O — CID 62297828

IUPACN-[[2-(2-chlorophenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(Oc2ccccc2Cl)c1
InChIInChI=1S/C14H15ClN2O/c1-2-16-10-11-7-8-17-14(9-11)18-13-6-4-3-5-12(13)15/h3-9,16H,2,10H2,1H3
InChIKeyRAJSCBIZMVUNBA-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.64
Rot. Bonds5

About N-[[2-(2-chlorophenoxy)-4-pyridinyl]methyl]ethanamine

N-[[2-(2-chlorophenoxy)-4-pyridinyl]methyl]ethanamine (PubChem CID 62297828) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-[[2-(2-chlorophenoxy)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-chlorophenoxy)-4-pyridinyl]methyl]ethanamine
PubChem CID62297828
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-[[2-(2-chlorophenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(Oc2ccccc2Cl)c1
InChIInChI=1S/C14H15ClN2O/c1-2-16-10-11-7-8-17-14(9-11)18-13-6-4-3-5-12(13)15/h3-9,16H,2,10H2,1H3
InChIKeyRAJSCBIZMVUNBA-UHFFFAOYSA-N
XLogP3.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chlorophenoxy)-4-pyridinyl]-N-methylmethanamine
CID 55058551
N-[[2-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 62297790
[2-(2-chlorophenoxy)-4-pyridinyl]methanol
CID 61256084
N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 62297631
N-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 62298106
N-[[2-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 62321836
N-[[2-(2,5-difluorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 63272898
1-[2-(2,3-dichlorophenoxy)-4-pyridinyl]-N-methylmethanamine
CID 62297929
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 116689946
N-[[2-(4-bromo-2-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 115402661
N-[[6-(2-chlorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 62295900
N-[[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 104708297

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenoxy)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-chlorophenoxy)-4-pyridinyl]methyl]ethanamine (CID 62297828) is N-[[2-(2-chlorophenoxy)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-chlorophenoxy)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-chlorophenoxy)-4-pyridinyl]methyl]ethanamine is CCNCc1ccnc(Oc2ccccc2Cl)c1.
What is the InChIKey of N-[[2-(2-chlorophenoxy)-4-pyridinyl]methyl]ethanamine?
The InChIKey is RAJSCBIZMVUNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-2-16-10-11-7-8-17-14(9-11)18-13-6-4-3-5-12(13)15/h3-9,16H,2,10H2,1H3.
What are the key properties of N-[[2-(2-chlorophenoxy)-4-pyridinyl]methyl]ethanamine?
N-[[2-(2-chlorophenoxy)-4-pyridinyl]methyl]ethanamine has a molecular weight of 262.74 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenoxy)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62297828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).