2-(3-ethoxy-2-phenylmethoxyphenyl)-1-pyridin-3-ylethanamine

C22H24N2O2 — CID 22299444

IUPAC2-(3-ethoxy-2-phenylmethoxyphenyl)-1-pyridin-3-ylethanamine
SMILESCCOc1cccc(CC(N)c2cccnc2)c1OCc1ccccc1
InChIInChI=1S/C22H24N2O2/c1-2-25-21-12-6-10-18(14-20(23)19-11-7-13-24-15-19)22(21)26-16-17-8-4-3-5-9-17/h3-13,15,20H,2,14,16,23H2,1H3
InChIKeyIAIUSYRJUJLAJS-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.30
Rot. Bonds8

About 2-(3-ethoxy-2-phenylmethoxyphenyl)-1-pyridin-3-ylethanamine

2-(3-ethoxy-2-phenylmethoxyphenyl)-1-pyridin-3-ylethanamine (PubChem CID 22299444) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(3-ethoxy-2-phenylmethoxyphenyl)-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name2-(3-ethoxy-2-phenylmethoxyphenyl)-1-pyridin-3-ylethanamine
PubChem CID22299444
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-(3-ethoxy-2-phenylmethoxyphenyl)-1-pyridin-3-ylethanamine
SMILESCCOc1cccc(CC(N)c2cccnc2)c1OCc1ccccc1
InChIInChI=1S/C22H24N2O2/c1-2-25-21-12-6-10-18(14-20(23)19-11-7-13-24-15-19)22(21)26-16-17-8-4-3-5-9-17/h3-13,15,20H,2,14,16,23H2,1H3
InChIKeyIAIUSYRJUJLAJS-UHFFFAOYSA-N
XLogP4.30
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethoxy-2-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4086182
2-(3-ethoxy-2-phenylmethoxyphenyl)-1-(furan-2-yl)ethanamine
CID 21157760
2-(2-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299211
N-[[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 43278943
(1S)-2-phenyl-1-pyridin-3-ylethanamine
CID 93312491
2-phenyl-1-pyridin-3-ylethanamine
CID 10352711
1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
CID 16782190
(1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
CID 30070823
1-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
CID 117479099
4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine
CID 117482452
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17156408
2-ethoxy-1-ethyl-3-phenylmethoxybenzene
CID 173205995

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-2-phenylmethoxyphenyl)-1-pyridin-3-ylethanamine?
The IUPAC name of 2-(3-ethoxy-2-phenylmethoxyphenyl)-1-pyridin-3-ylethanamine (CID 22299444) is 2-(3-ethoxy-2-phenylmethoxyphenyl)-1-pyridin-3-ylethanamine.
What is the SMILES notation for 2-(3-ethoxy-2-phenylmethoxyphenyl)-1-pyridin-3-ylethanamine?
The canonical SMILES for 2-(3-ethoxy-2-phenylmethoxyphenyl)-1-pyridin-3-ylethanamine is CCOc1cccc(CC(N)c2cccnc2)c1OCc1ccccc1.
What is the InChIKey of 2-(3-ethoxy-2-phenylmethoxyphenyl)-1-pyridin-3-ylethanamine?
The InChIKey is IAIUSYRJUJLAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-2-25-21-12-6-10-18(14-20(23)19-11-7-13-24-15-19)22(21)26-16-17-8-4-3-5-9-17/h3-13,15,20H,2,14,16,23H2,1H3.
What are the key properties of 2-(3-ethoxy-2-phenylmethoxyphenyl)-1-pyridin-3-ylethanamine?
2-(3-ethoxy-2-phenylmethoxyphenyl)-1-pyridin-3-ylethanamine has a molecular weight of 348.45 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-2-phenylmethoxyphenyl)-1-pyridin-3-ylethanamine is sourced from PubChem (CID 22299444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).