N-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine

C16H20N2O — CID 83128001

IUPACN-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine
SMILESCCNC(C)c1ccc(Oc2ccc(C)cc2)cn1
InChIInChI=1S/C16H20N2O/c1-4-17-13(3)16-10-9-15(11-18-16)19-14-7-5-12(2)6-8-14/h5-11,13,17H,4H2,1-3H3
InChIKeyGJQBYULGPSVAND-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.85
Rot. Bonds5

About N-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine

N-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine (PubChem CID 83128001) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine
PubChem CID83128001
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine
SMILESCCNC(C)c1ccc(Oc2ccc(C)cc2)cn1
InChIInChI=1S/C16H20N2O/c1-4-17-13(3)16-10-9-15(11-18-16)19-14-7-5-12(2)6-8-14/h5-11,13,17H,4H2,1-3H3
InChIKeyGJQBYULGPSVAND-UHFFFAOYSA-N
XLogP3.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83111971
N-ethyl-1-[5-(3-fluoro-4-methylphenoxy)-2-pyridinyl]ethanamine
CID 107169528
1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83128091
1-[5-(3-chloro-4-fluorophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83124110
1-[5-(2-bromophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83126946
N-ethyl-1-[5-(5-fluoro-2-methylphenoxy)-2-pyridinyl]ethanamine
CID 102982283
3-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]oxy]-N,N-dimethylaniline
CID 83111619
N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine
CID 83124328
1-[5-(4-bromo-2,5-dichlorophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 107658714
N-[1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]ethyl]propan-1-amine
CID 83111420
N-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine
CID 115940101
N-ethyl-1-[5-(oxetan-3-yloxy)-2-pyridinyl]ethanamine
CID 102606575

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine (CID 83128001) is N-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine is CCNC(C)c1ccc(Oc2ccc(C)cc2)cn1.
What is the InChIKey of N-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine?
The InChIKey is GJQBYULGPSVAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-17-13(3)16-10-9-15(11-18-16)19-14-7-5-12(2)6-8-14/h5-11,13,17H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine?
N-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83128001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).