[4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine

C15H15F2NO — CID 63934665

IUPAC[4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine
SMILESNCc1ccc(F)c(COCc2ccccc2F)c1
InChIInChI=1S/C15H15F2NO/c16-14-4-2-1-3-12(14)9-19-10-13-7-11(8-18)5-6-15(13)17/h1-7H,8-10,18H2
InChIKeyVVKFLRBKHKHJKX-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.14
Rot. Bonds5

About [4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine

[4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine (PubChem CID 63934665) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is [4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine
PubChem CID63934665
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name[4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine
SMILESNCc1ccc(F)c(COCc2ccccc2F)c1
InChIInChI=1S/C15H15F2NO/c16-14-4-2-1-3-12(14)9-19-10-13-7-11(8-18)5-6-15(13)17/h1-7H,8-10,18H2
InChIKeyVVKFLRBKHKHJKX-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
[4-[(2-chlorophenyl)methoxymethyl]-3-fluorophenyl]methanamine
CID 43530931
[3-[(2-ethylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 43364228
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
[4-fluoro-3-(4-methylpentoxymethyl)phenyl]methanamine
CID 28996219
[4-fluoro-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methanamine
CID 103289061
[3-[(2,5-difluorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 63269028
1-fluoro-2-[(4-methoxyphenyl)methoxymethyl]benzene
CID 145304623
3-[(2-fluorophenyl)methoxymethyl]pyridin-2-amine
CID 63935753
[3-[(3-bromophenoxy)methyl]-4-fluorophenyl]methanamine
CID 43531140
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-[(2-methylphenyl)methyl]ethanamine
CID 43588378
[4-fluoro-3-[(2-fluoro-3-methylphenoxy)methyl]phenyl]methanamine
CID 107656549

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine?
The IUPAC name of [4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine (CID 63934665) is [4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine.
What is the SMILES notation for [4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine?
The canonical SMILES for [4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine is NCc1ccc(F)c(COCc2ccccc2F)c1.
What is the InChIKey of [4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine?
The InChIKey is VVKFLRBKHKHJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c16-14-4-2-1-3-12(14)9-19-10-13-7-11(8-18)5-6-15(13)17/h1-7H,8-10,18H2.
What are the key properties of [4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine?
[4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine has a molecular weight of 263.29 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine is sourced from PubChem (CID 63934665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).