N-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine

C16H19ClN2O — CID 106908205

IUPACN-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(COc2cc(C)ccc2Cl)n1
InChIInChI=1S/C16H19ClN2O/c1-3-18-10-13-5-4-6-14(19-13)11-20-16-9-12(2)7-8-15(16)17/h4-9,18H,3,10-11H2,1-2H3
InChIKeyQCVUJUUKMQIPID-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.73
Rot. Bonds6

About N-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine

N-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine (PubChem CID 106908205) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
PubChem CID106908205
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(COc2cc(C)ccc2Cl)n1
InChIInChI=1S/C16H19ClN2O/c1-3-18-10-13-5-4-6-14(19-13)11-20-16-9-12(2)7-8-15(16)17/h4-9,18H,3,10-11H2,1-2H3
InChIKeyQCVUJUUKMQIPID-UHFFFAOYSA-N
XLogP3.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

6-[(2-chloro-5-methylphenoxy)methyl]-N-methylpyridin-2-amine
CID 79238943
6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide
CID 106908889
N-[[6-[(2-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 107661247
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106908164
N-[[6-[(3,4-dichlorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908243
N-[[1-[2-(2-chloro-5-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine
CID 62486782
1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106908117
N-[[6-[(2-prop-2-enylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 106908299
N-[[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 106908616
N-[[6-[(4-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 106908554
N-[[6-(2-chlorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 62295900

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine (CID 106908205) is N-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine is CCNCc1cccc(COc2cc(C)ccc2Cl)n1.
What is the InChIKey of N-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine?
The InChIKey is QCVUJUUKMQIPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-3-18-10-13-5-4-6-14(19-13)11-20-16-9-12(2)7-8-15(16)17/h4-9,18H,3,10-11H2,1-2H3.
What are the key properties of N-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine?
N-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine has a molecular weight of 290.79 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 106908205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).