[2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine

C15H15F2NO2 — CID 82918459

IUPAC[2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(OCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H15F2NO2/c1-19-12-4-3-11(8-18)15(7-12)20-9-10-2-5-13(16)14(17)6-10/h2-7H,8-9,18H2,1H3
InChIKeyTVFNMUIXHUNOQQ-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.01
Rot. Bonds5

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

[2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine (PubChem CID 82918459) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is [2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine
PubChem CID82918459
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name[2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(OCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H15F2NO2/c1-19-12-4-3-11(8-18)15(7-12)20-9-10-2-5-13(16)14(17)6-10/h2-7H,8-9,18H2,1H3
InChIKeyTVFNMUIXHUNOQQ-UHFFFAOYSA-N
XLogP3.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine
CID 82919254
2-(chloromethyl)-1-[(3,4-difluorophenyl)methoxy]-4-methoxybenzene
CID 82919668
[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 107878670
1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene
CID 61267627
[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 61267594
1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methylmethanamine
CID 103037822
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
[4-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine
CID 62543773
2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline
CID 43332349
1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene
CID 63534195
[3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 102876040
1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 61270022

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine?
The IUPAC name of [2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine (CID 82918459) is [2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine.
What is the SMILES notation for [2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine?
The canonical SMILES for [2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine is COc1ccc(CN)c(OCc2ccc(F)c(F)c2)c1.
What is the InChIKey of [2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine?
The InChIKey is TVFNMUIXHUNOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c1-19-12-4-3-11(8-18)15(7-12)20-9-10-2-5-13(16)14(17)6-10/h2-7H,8-9,18H2,1H3.
What are the key properties of [2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine?
[2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine has a molecular weight of 279.29 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine is sourced from PubChem (CID 82918459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).