1-[2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine

C16H20N2O — CID 54930799

IUPAC1-[2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1OCCc1ccncc1
InChIInChI=1S/C16H20N2O/c1-13(17)12-15-4-2-3-5-16(15)19-11-8-14-6-9-18-10-7-14/h2-7,9-10,13H,8,11-12,17H2,1H3
InChIKeyJUNCWVGNJNMOMU-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.59
Rot. Bonds6

About 1-[2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine

1-[2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine (PubChem CID 54930799) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine
PubChem CID54930799
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-[2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1OCCc1ccncc1
InChIInChI=1S/C16H20N2O/c1-13(17)12-15-4-2-3-5-16(15)19-11-8-14-6-9-18-10-7-14/h2-7,9-10,13H,8,11-12,17H2,1H3
InChIKeyJUNCWVGNJNMOMU-UHFFFAOYSA-N
XLogP2.59
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine
CID 60892832
1-[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine
CID 114321819
1-[2-(4-phenylbutoxy)phenyl]propan-2-amine
CID 114334354
N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
CID 60892643
1-[2-(4-methoxybutoxy)phenyl]propan-2-amine
CID 113437064
1-[5-bromo-3-methyl-2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine
CID 115962767
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine
CID 112591165
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-[3-fluoro-2-(2-phenylethoxy)phenyl]propan-2-amine
CID 115958617
1-(2-pyridin-4-ylphenyl)propan-2-amine
CID 131562837
4-pyridin-4-ylbutan-2-amine;hydrobromide
CID 122657673
(1S)-1-[2-fluoro-6-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 29006428

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine (CID 54930799) is 1-[2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine is CC(N)Cc1ccccc1OCCc1ccncc1.
What is the InChIKey of 1-[2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine?
The InChIKey is JUNCWVGNJNMOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13(17)12-15-4-2-3-5-16(15)19-11-8-14-6-9-18-10-7-14/h2-7,9-10,13H,8,11-12,17H2,1H3.
What are the key properties of 1-[2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine?
1-[2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine has a molecular weight of 256.35 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 54930799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).