[2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methanamine

C15H15F2NO — CID 107114161

IUPAC[2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methanamine
SMILESCc1ccc(F)c(OCc2cccc(CN)c2F)c1
InChIInChI=1S/C15H15F2NO/c1-10-5-6-13(16)14(7-10)19-9-12-4-2-3-11(8-18)15(12)17/h2-7H,8-9,18H2,1H3
InChIKeyOEZRGAUXMPSNFH-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.31
Rot. Bonds4

About [2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methanamine

[2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methanamine (PubChem CID 107114161) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is [2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methanamine
PubChem CID107114161
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name[2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methanamine
SMILESCc1ccc(F)c(OCc2cccc(CN)c2F)c1
InChIInChI=1S/C15H15F2NO/c1-10-5-6-13(16)14(7-10)19-9-12-4-2-3-11(8-18)15(12)17/h2-7H,8-9,18H2,1H3
InChIKeyOEZRGAUXMPSNFH-UHFFFAOYSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(2,5-dimethylphenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114032
2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile
CID 103912314
2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 107117672
[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine
CID 64854594
1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene
CID 55224386
[5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine
CID 104791271
[3-[2-(2-fluoro-5-methylphenoxy)ethoxy]phenyl]methanamine
CID 64854022
2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline
CID 102855353
2-[(2-fluoro-5-methylphenoxy)methyl]-6-methoxypyridine
CID 64854335
2-[(2-fluoro-5-methylphenoxy)methyl]-N-methyl-6-nitroaniline
CID 107352413
2-[(2-fluoro-5-methylphenoxy)methyl]prop-2-en-1-amine
CID 103067314
[3-[(3-ethoxyphenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114137

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methanamine (CID 107114161) is [2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methanamine is Cc1ccc(F)c(OCc2cccc(CN)c2F)c1.
What is the InChIKey of [2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methanamine?
The InChIKey is OEZRGAUXMPSNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10-5-6-13(16)14(7-10)19-9-12-4-2-3-11(8-18)15(12)17/h2-7H,8-9,18H2,1H3.
What are the key properties of [2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methanamine?
[2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methanamine has a molecular weight of 263.29 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 107114161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).