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

C21H21FN2O2 — CID 4720336

IUPAC1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCOc1cc(CNCc2ccccn2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C21H21FN2O2/c1-25-21-12-17(13-23-14-19-4-2-3-11-24-19)7-10-20(21)26-15-16-5-8-18(22)9-6-16/h2-12,23H,13-15H2,1H3
InChIKeyXBTKZFXXYSUWOT-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.10
Rot. Bonds8

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

1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 4720336) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID4720336
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCOc1cc(CNCc2ccccn2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C21H21FN2O2/c1-25-21-12-17(13-23-14-19-4-2-3-11-24-19)7-10-20(21)26-15-16-5-8-18(22)9-6-16/h2-12,23H,13-15H2,1H3
InChIKeyXBTKZFXXYSUWOT-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

1-(3-methoxy-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 29225975
1-(4-fluorophenyl)-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 4719742
1-(3-ethoxy-4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 6459415
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine
CID 4715731
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17292580
1-(3-bromo-4-methoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 29223796
1-(4-fluorophenyl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;hydrochloride
CID 17292737
1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290330
1-(4-fluorophenyl)-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine;hydrochloride
CID 17294212
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
1-[4-(methoxymethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 60751892
N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine
CID 66534596

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine (CID 4720336) is 1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine is COc1cc(CNCc2ccccn2)ccc1OCc1ccc(F)cc1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is XBTKZFXXYSUWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-25-21-12-17(13-23-14-19-4-2-3-11-24-19)7-10-20(21)26-15-16-5-8-18(22)9-6-16/h2-12,23H,13-15H2,1H3.
What are the key properties of 1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine?
1-[4-[(4-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-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 4720336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).