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

C15H15F2NO — CID 112607460

IUPAC[2-[(2,4-difluorophenyl)methoxy]-3-methylphenyl]methanamine
SMILESCc1cccc(CN)c1OCc1ccc(F)cc1F
InChIInChI=1S/C15H15F2NO/c1-10-3-2-4-11(8-18)15(10)19-9-12-5-6-13(16)7-14(12)17/h2-7H,8-9,18H2,1H3
InChIKeyPUTRDZKNTMZDPI-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.31
Rot. Bonds4

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

[2-[(2,4-difluorophenyl)methoxy]-3-methylphenyl]methanamine (PubChem CID 112607460) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is [2-[(2,4-difluorophenyl)methoxy]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-[(2,4-difluorophenyl)methoxy]-3-methylphenyl]methanamine
PubChem CID112607460
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name[2-[(2,4-difluorophenyl)methoxy]-3-methylphenyl]methanamine
SMILESCc1cccc(CN)c1OCc1ccc(F)cc1F
InChIInChI=1S/C15H15F2NO/c1-10-3-2-4-11(8-18)15(10)19-9-12-5-6-13(16)7-14(12)17/h2-7H,8-9,18H2,1H3
InChIKeyPUTRDZKNTMZDPI-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

[2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607529
4-[[2-(aminomethyl)-6-methylphenoxy]methyl]-3-fluorobenzonitrile
CID 115951804
[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
CID 114345832
2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 112614778
[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 114848317
1-(bromomethyl)-2-[(4-chloro-2-fluorophenyl)methoxy]-3-methylbenzene
CID 114850389
[2-[(2-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]methanol
CID 112612374
1-[2-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958685
[4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 64763729
3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol
CID 112607358
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 20987842
[3-fluoro-4-[(2,3,6-trimethylphenoxy)methyl]phenyl]methanamine
CID 43345550

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-difluorophenyl)methoxy]-3-methylphenyl]methanamine?
The IUPAC name of [2-[(2,4-difluorophenyl)methoxy]-3-methylphenyl]methanamine (CID 112607460) is [2-[(2,4-difluorophenyl)methoxy]-3-methylphenyl]methanamine.
What is the SMILES notation for [2-[(2,4-difluorophenyl)methoxy]-3-methylphenyl]methanamine?
The canonical SMILES for [2-[(2,4-difluorophenyl)methoxy]-3-methylphenyl]methanamine is Cc1cccc(CN)c1OCc1ccc(F)cc1F.
What is the InChIKey of [2-[(2,4-difluorophenyl)methoxy]-3-methylphenyl]methanamine?
The InChIKey is PUTRDZKNTMZDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10-3-2-4-11(8-18)15(10)19-9-12-5-6-13(16)7-14(12)17/h2-7H,8-9,18H2,1H3.
What are the key properties of [2-[(2,4-difluorophenyl)methoxy]-3-methylphenyl]methanamine?
[2-[(2,4-difluorophenyl)methoxy]-3-methylphenyl]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-[(2,4-difluorophenyl)methoxy]-3-methylphenyl]methanamine is sourced from PubChem (CID 112607460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).