[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine

C15H16FNO2 — CID 16774045

IUPAC[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
SMILESCOc1cc(CN)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C15H16FNO2/c1-18-15-8-12(9-17)4-7-14(15)19-10-11-2-5-13(16)6-3-11/h2-8H,9-10,17H2,1H3
InChIKeyMMXOUEXTRJYBGA-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.87
Rot. Bonds5

About [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine

[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine (PubChem CID 16774045) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
PubChem CID16774045
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
SMILESCOc1cc(CN)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C15H16FNO2/c1-18-15-8-12(9-17)4-7-14(15)19-10-11-2-5-13(16)6-3-11/h2-8H,9-10,17H2,1H3
InChIKeyMMXOUEXTRJYBGA-UHFFFAOYSA-N
XLogP2.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxyphenyl]methanol
CID 107742818
[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 43332360
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene
CID 130325597
[4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine
CID 22688736
[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60879812
[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 20989786
2-[3,4-bis[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 134127167
[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine
CID 81106628
1-(4-fluorophenyl)-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 4719742
[3-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 79705064

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine?
The IUPAC name of [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine (CID 16774045) is [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine.
What is the SMILES notation for [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine?
The canonical SMILES for [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine is COc1cc(CN)ccc1OCc1ccc(F)cc1.
What is the InChIKey of [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine?
The InChIKey is MMXOUEXTRJYBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-18-15-8-12(9-17)4-7-14(15)19-10-11-2-5-13(16)6-3-11/h2-8H,9-10,17H2,1H3.
What are the key properties of [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine?
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine has a molecular weight of 261.30 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine is sourced from PubChem (CID 16774045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).