1-pyridin-4-yl-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine

C19H19N3O — CID 86787310

IUPAC1-pyridin-4-yl-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine
SMILESCC(NCc1ccccc1Oc1cccnc1)c1ccncc1
InChIInChI=1S/C19H19N3O/c1-15(16-8-11-20-12-9-16)22-13-17-5-2-3-7-19(17)23-18-6-4-10-21-14-18/h2-12,14-15,22H,13H2,1H3
InChIKeyINOBNOGNTXWLAY-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.12
Rot. Bonds6

About 1-pyridin-4-yl-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine

1-pyridin-4-yl-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine (PubChem CID 86787310) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-pyridin-4-yl-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-pyridin-4-yl-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine
PubChem CID86787310
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name1-pyridin-4-yl-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine
SMILESCC(NCc1ccccc1Oc1cccnc1)c1ccncc1
InChIInChI=1S/C19H19N3O/c1-15(16-8-11-20-12-9-16)22-13-17-5-2-3-7-19(17)23-18-6-4-10-21-14-18/h2-12,14-15,22H,13H2,1H3
InChIKeyINOBNOGNTXWLAY-UHFFFAOYSA-N
XLogP4.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-pyridin-3-yloxyphenyl)methyl]propan-2-amine
CID 43283723
N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 43178816
2-[2-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenoxy]acetonitrile
CID 81407639
(1S)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 28655941
(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 81409770
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 81406474
2-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]benzonitrile
CID 107935975
2-methoxy-6-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenol
CID 28655237
1-pyridin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43766878
2-[[[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol
CID 95567478
(1S)-N-[(2,3-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406440
(1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine
CID 104503981

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine?
The IUPAC name of 1-pyridin-4-yl-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine (CID 86787310) is 1-pyridin-4-yl-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-pyridin-4-yl-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-pyridin-4-yl-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine is CC(NCc1ccccc1Oc1cccnc1)c1ccncc1.
What is the InChIKey of 1-pyridin-4-yl-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine?
The InChIKey is INOBNOGNTXWLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-15(16-8-11-20-12-9-16)22-13-17-5-2-3-7-19(17)23-18-6-4-10-21-14-18/h2-12,14-15,22H,13H2,1H3.
What are the key properties of 1-pyridin-4-yl-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine?
1-pyridin-4-yl-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine has a molecular weight of 305.38 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 86787310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).