[3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine

C16H18FNO3 — CID 102876040

IUPAC[3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(COc2cc(CN)ccc2OC)c(F)c1
InChIInChI=1S/C16H18FNO3/c1-19-13-5-4-12(14(17)8-13)10-21-16-7-11(9-18)3-6-15(16)20-2/h3-8H,9-10,18H2,1-2H3
InChIKeyZKLOCRQJCKLFND-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.88
Rot. Bonds6

About [3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine

[3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine (PubChem CID 102876040) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is [3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
PubChem CID102876040
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name[3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(COc2cc(CN)ccc2OC)c(F)c1
InChIInChI=1S/C16H18FNO3/c1-19-13-5-4-12(14(17)8-13)10-21-16-7-11(9-18)3-6-15(16)20-2/h3-8H,9-10,18H2,1-2H3
InChIKeyZKLOCRQJCKLFND-UHFFFAOYSA-N
XLogP2.88
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(4-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 114847771
[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 43332360
2-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107700182
3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzaldehyde
CID 102876852
[3-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 102615150
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
1-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-2-fluoro-4-methoxybenzene
CID 102877191
2-[4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanethioamide
CID 102876786
[3-[(2,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanol
CID 62198124
[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 20989786
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine
CID 170879087

Frequently Asked Questions

What is the IUPAC name of [3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine?
The IUPAC name of [3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine (CID 102876040) is [3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine.
What is the SMILES notation for [3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine?
The canonical SMILES for [3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine is COc1ccc(COc2cc(CN)ccc2OC)c(F)c1.
What is the InChIKey of [3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine?
The InChIKey is ZKLOCRQJCKLFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-19-13-5-4-12(14(17)8-13)10-21-16-7-11(9-18)3-6-15(16)20-2/h3-8H,9-10,18H2,1-2H3.
What are the key properties of [3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine?
[3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine has a molecular weight of 291.32 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine is sourced from PubChem (CID 102876040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).