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

C18H24N2O — CID 83111971

IUPACN-ethyl-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
SMILESCCNC(C)c1ccc(Oc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C18H24N2O/c1-5-19-14(4)18-11-10-17(12-20-18)21-16-8-6-15(7-9-16)13(2)3/h6-14,19H,5H2,1-4H3
InChIKeyHNKPXHMSNGBWJC-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.67
Rot. Bonds6

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

N-ethyl-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine (PubChem CID 83111971) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-ethyl-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
PubChem CID83111971
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-ethyl-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
SMILESCCNC(C)c1ccc(Oc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C18H24N2O/c1-5-19-14(4)18-11-10-17(12-20-18)21-16-8-6-15(7-9-16)13(2)3/h6-14,19H,5H2,1-4H3
InChIKeyHNKPXHMSNGBWJC-UHFFFAOYSA-N
XLogP4.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine
CID 83128001
1-[5-(3-chloro-4-fluorophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83124110
1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83128091
N-ethyl-1-[5-(3-fluoro-4-methylphenoxy)-2-pyridinyl]ethanamine
CID 107169528
(1R)-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83127768
1-[5-(2-bromophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83126946
3-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]oxy]-N,N-dimethylaniline
CID 83111619
1-[5-(4-bromo-2,5-dichlorophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 107658714
N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine
CID 83124328
N-ethyl-1-[5-(5-fluoro-2-methylphenoxy)-2-pyridinyl]ethanamine
CID 102982283
N-ethyl-1-[5-(oxetan-3-yloxy)-2-pyridinyl]ethanamine
CID 102606575
N-ethyl-1-(4-phenoxyphenyl)ethanamine
CID 43285534

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine (CID 83111971) is N-ethyl-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine is CCNC(C)c1ccc(Oc2ccc(C(C)C)cc2)cn1.
What is the InChIKey of N-ethyl-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine?
The InChIKey is HNKPXHMSNGBWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-19-14(4)18-11-10-17(12-20-18)21-16-8-6-15(7-9-16)13(2)3/h6-14,19H,5H2,1-4H3.
What are the key properties of N-ethyl-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine?
N-ethyl-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine has a molecular weight of 284.40 g/mol, XLogP of 4.67, 6 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-propan-2-ylphenoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83111971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).