1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine

C21H21FN2O2 — CID 4720348

IUPAC1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCOc1cc(CNCc2ccccn2)ccc1OCc1ccccc1F
InChIInChI=1S/C21H21FN2O2/c1-25-21-12-16(13-23-14-18-7-4-5-11-24-18)9-10-20(21)26-15-17-6-2-3-8-19(17)22/h2-12,23H,13-15H2,1H3
InChIKeyQNWQZQHYIXEUHA-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.10
Rot. Bonds8

About 1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine

1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 4720348) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID4720348
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCOc1cc(CNCc2ccccn2)ccc1OCc1ccccc1F
InChIInChI=1S/C21H21FN2O2/c1-25-21-12-16(13-23-14-18-7-4-5-11-24-18)9-10-20(21)26-15-17-6-2-3-8-19(17)22/h2-12,23H,13-15H2,1H3
InChIKeyQNWQZQHYIXEUHA-UHFFFAOYSA-N
XLogP4.10
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 4680
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N-(4-((6-chloropyridin-3-yl)methoxy)-3-methoxybenzyl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 4719406
CT 1730; GR 259653X
CID 89809670
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2-(2-Methoxyphenoxy)-3-(piperidin-4-yl)pyridine
CID 44133674
Ldn-214117
CID 91754554
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CID 5876917

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine (CID 4720348) is 1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine is COc1cc(CNCc2ccccn2)ccc1OCc1ccccc1F.
What is the InChIKey of 1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is QNWQZQHYIXEUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-25-21-12-16(13-23-14-18-7-4-5-11-24-18)9-10-20(21)26-15-17-6-2-3-8-19(17)22/h2-12,23H,13-15H2,1H3.
What are the key properties of 1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine?
1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 352.41 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 4720348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).