N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine

C16H19ClN2O — CID 81250523

IUPACN-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnccc1Oc1ccc(Cl)c(CC)c1
InChIInChI=1S/C16H19ClN2O/c1-3-12-9-14(5-6-15(12)17)20-16-7-8-19-11-13(16)10-18-4-2/h5-9,11,18H,3-4,10H2,1-2H3
InChIKeyUCBUOYORJMWAIX-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.20
Rot. Bonds6

About N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine

N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 81250523) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID81250523
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnccc1Oc1ccc(Cl)c(CC)c1
InChIInChI=1S/C16H19ClN2O/c1-3-12-9-14(5-6-15(12)17)20-16-7-8-19-11-13(16)10-18-4-2/h5-9,11,18H,3-4,10H2,1-2H3
InChIKeyUCBUOYORJMWAIX-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81255002
N-[[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]methyl]ethanamine
CID 114856344
N-[[4-(2,3-dihydro-1H-inden-5-yloxy)-3-pyridinyl]methyl]ethanamine
CID 81250662
N-[[2-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62323648
N-[[4-(4-bromo-2-chlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 81251297
N-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81251160
N-[[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 116690059
N-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81251291
N-[[4-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250588
N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride
CID 126796280
N-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81251065
N-[[4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]ethanamine
CID 116793323

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine (CID 81250523) is N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine is CCNCc1cnccc1Oc1ccc(Cl)c(CC)c1.
What is the InChIKey of N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is UCBUOYORJMWAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-3-12-9-14(5-6-15(12)17)20-16-7-8-19-11-13(16)10-18-4-2/h5-9,11,18H,3-4,10H2,1-2H3.
What are the key properties of N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine?
N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine has a molecular weight of 290.79 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 81250523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).