1-[4-(2-pyridin-3-ylethoxy)phenyl]ethanamine

C15H18N2O — CID 55170164

IUPAC1-[4-(2-pyridin-3-ylethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OCCc2cccnc2)cc1
InChIInChI=1S/C15H18N2O/c1-12(16)14-4-6-15(7-5-14)18-10-8-13-3-2-9-17-11-13/h2-7,9,11-12H,8,10,16H2,1H3
InChIKeyMRNCOPKMXDOIOU-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.72
Rot. Bonds5

About 1-[4-(2-pyridin-3-ylethoxy)phenyl]ethanamine

1-[4-(2-pyridin-3-ylethoxy)phenyl]ethanamine (PubChem CID 55170164) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[4-(2-pyridin-3-ylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2-pyridin-3-ylethoxy)phenyl]ethanamine
PubChem CID55170164
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[4-(2-pyridin-3-ylethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OCCc2cccnc2)cc1
InChIInChI=1S/C15H18N2O/c1-12(16)14-4-6-15(7-5-14)18-10-8-13-3-2-9-17-11-13/h2-7,9,11-12H,8,10,16H2,1H3
InChIKeyMRNCOPKMXDOIOU-UHFFFAOYSA-N
XLogP2.72
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-butan-2-ylphenoxy)ethyl]pyridine
CID 107669015
1-[4-(2-phenylethoxy)phenyl]ethanamine
CID 16785512
1-[2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 63264533
1-[4-(3-phenoxypropoxy)phenyl]ethanamine
CID 13012117
1-[4-bromo-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 102946417
1-[4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 43503736
(1R)-1-[4-(2-thiophen-3-ylethoxy)phenyl]ethanamine
CID 78956495
(1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine
CID 78960972
(1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30072177
1-[4-(pyrazin-2-ylmethoxy)phenyl]ethanamine
CID 117052240
2-methyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
CID 82914505
O-(2-pyridin-3-ylethyl)hydroxylamine;dihydrochloride
CID 45158549

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-pyridin-3-ylethoxy)phenyl]ethanamine?
The IUPAC name of 1-[4-(2-pyridin-3-ylethoxy)phenyl]ethanamine (CID 55170164) is 1-[4-(2-pyridin-3-ylethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(2-pyridin-3-ylethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-(2-pyridin-3-ylethoxy)phenyl]ethanamine is CC(N)c1ccc(OCCc2cccnc2)cc1.
What is the InChIKey of 1-[4-(2-pyridin-3-ylethoxy)phenyl]ethanamine?
The InChIKey is MRNCOPKMXDOIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12(16)14-4-6-15(7-5-14)18-10-8-13-3-2-9-17-11-13/h2-7,9,11-12H,8,10,16H2,1H3.
What are the key properties of 1-[4-(2-pyridin-3-ylethoxy)phenyl]ethanamine?
1-[4-(2-pyridin-3-ylethoxy)phenyl]ethanamine has a molecular weight of 242.32 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-pyridin-3-ylethoxy)phenyl]ethanamine is sourced from PubChem (CID 55170164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).