1-(3-ethoxyphenoxy)-1-pyridin-2-ylbutan-2-amine

C17H22N2O2 — CID 62338255

IUPAC1-(3-ethoxyphenoxy)-1-pyridin-2-ylbutan-2-amine
SMILESCCOc1cccc(OC(c2ccccn2)C(N)CC)c1
InChIInChI=1S/C17H22N2O2/c1-3-15(18)17(16-10-5-6-11-19-16)21-14-9-7-8-13(12-14)20-4-2/h5-12,15,17H,3-4,18H2,1-2H3
InChIKeyUGGZUHPEUYPJOT-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.34
Rot. Bonds7

About 1-(3-ethoxyphenoxy)-1-pyridin-2-ylbutan-2-amine

1-(3-ethoxyphenoxy)-1-pyridin-2-ylbutan-2-amine (PubChem CID 62338255) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(3-ethoxyphenoxy)-1-pyridin-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxyphenoxy)-1-pyridin-2-ylbutan-2-amine
PubChem CID62338255
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(3-ethoxyphenoxy)-1-pyridin-2-ylbutan-2-amine
SMILESCCOc1cccc(OC(c2ccccn2)C(N)CC)c1
InChIInChI=1S/C17H22N2O2/c1-3-15(18)17(16-10-5-6-11-19-16)21-14-9-7-8-13(12-14)20-4-2/h5-12,15,17H,3-4,18H2,1-2H3
InChIKeyUGGZUHPEUYPJOT-UHFFFAOYSA-N
XLogP3.34
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-3-methylphenoxy)-1-pyridin-2-ylbutan-2-amine
CID 83133333
1-(2,2-difluoroethoxy)-1-pyridin-2-ylbutan-2-amine
CID 82005131
4-(2-amino-1-pyridin-2-ylbutoxy)-3-fluorobenzonitrile
CID 107670268
1-(2-bromophenyl)-1-(3-ethoxyphenoxy)propan-2-amine
CID 62337254
1-(3-ethoxyphenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62337853
(2S)-1-(3-ethoxyphenoxy)propan-2-amine
CID 79002236
2-(3-methoxyphenoxy)-1-pyridin-2-ylethanamine
CID 117241389
1-(oxetan-3-yloxy)-1-pyridin-2-ylbutan-2-amine
CID 102605618
1-(3-ethoxyphenoxy)-1-(4-methylphenyl)propan-2-amine
CID 62337452
diethyl 2-(1-ethoxy-2-phenoxy-2-pyridin-2-ylethyl)propanedioate
CID 14652938
1-(3,5-dimethylcyclohexyl)oxy-1-pyridin-2-ylbutan-2-amine
CID 64729371
1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63457460

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenoxy)-1-pyridin-2-ylbutan-2-amine?
The IUPAC name of 1-(3-ethoxyphenoxy)-1-pyridin-2-ylbutan-2-amine (CID 62338255) is 1-(3-ethoxyphenoxy)-1-pyridin-2-ylbutan-2-amine.
What is the SMILES notation for 1-(3-ethoxyphenoxy)-1-pyridin-2-ylbutan-2-amine?
The canonical SMILES for 1-(3-ethoxyphenoxy)-1-pyridin-2-ylbutan-2-amine is CCOc1cccc(OC(c2ccccn2)C(N)CC)c1.
What is the InChIKey of 1-(3-ethoxyphenoxy)-1-pyridin-2-ylbutan-2-amine?
The InChIKey is UGGZUHPEUYPJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-15(18)17(16-10-5-6-11-19-16)21-14-9-7-8-13(12-14)20-4-2/h5-12,15,17H,3-4,18H2,1-2H3.
What are the key properties of 1-(3-ethoxyphenoxy)-1-pyridin-2-ylbutan-2-amine?
1-(3-ethoxyphenoxy)-1-pyridin-2-ylbutan-2-amine has a molecular weight of 286.38 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenoxy)-1-pyridin-2-ylbutan-2-amine is sourced from PubChem (CID 62338255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).