N-[[2-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine

C16H19ClN2O — CID 62323648

IUPACN-[[2-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1Oc1ccc(Cl)c(CC)c1
InChIInChI=1S/C16H19ClN2O/c1-3-12-10-14(7-8-15(12)17)20-16-13(11-18-4-2)6-5-9-19-16/h5-10,18H,3-4,11H2,1-2H3
InChIKeyLYPXZUQHVPUPDQ-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.20
Rot. Bonds6

About N-[[2-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine

N-[[2-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 62323648) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[[2-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID62323648
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[[2-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1Oc1ccc(Cl)c(CC)c1
InChIInChI=1S/C16H19ClN2O/c1-3-12-10-14(7-8-15(12)17)20-16-13(11-18-4-2)6-5-9-19-16/h5-10,18H,3-4,11H2,1-2H3
InChIKeyLYPXZUQHVPUPDQ-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

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Related Compounds

N-[[2-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297843
3-bromo-2-(4-chloro-3-ethylphenoxy)pyridine
CID 63462551
N-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]methyl]ethanamine
CID 62323863
2-(4-chloro-3-ethylphenoxy)pyridine-3-carbonitrile
CID 43212993
N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250523
N-[[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]methyl]ethanamine
CID 114856344
N-[[2-(4-butan-2-ylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 107668187
N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride
CID 126796280
N-[(2-naphthalen-1-yloxy-3-pyridinyl)methyl]ethanamine
CID 62322003
N-[[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125486
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine
CID 62295599

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine (CID 62323648) is N-[[2-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine is CCNCc1cccnc1Oc1ccc(Cl)c(CC)c1.
What is the InChIKey of N-[[2-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is LYPXZUQHVPUPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-3-12-10-14(7-8-15(12)17)20-16-13(11-18-4-2)6-5-9-19-16/h5-10,18H,3-4,11H2,1-2H3.
What are the key properties of N-[[2-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine?
N-[[2-(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-[[2-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62323648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).