[3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine

C15H14F3NO — CID 115852067

IUPAC[3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine
SMILESCc1ccc(F)cc1C(N)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H14F3NO/c1-9-5-6-11(16)8-13(9)14(19)10-3-2-4-12(7-10)20-15(17)18/h2-8,14-15H,19H2,1H3
InChIKeyDTOGBGQFJICBOB-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.78
Rot. Bonds4

About [3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine

[3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine (PubChem CID 115852067) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is [3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name[3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine
PubChem CID115852067
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name[3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine
SMILESCc1ccc(F)cc1C(N)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H14F3NO/c1-9-5-6-11(16)8-13(9)14(19)10-3-2-4-12(7-10)20-15(17)18/h2-8,14-15H,19H2,1H3
InChIKeyDTOGBGQFJICBOB-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(difluoromethoxy)phenyl]-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115851960
[3-(difluoromethoxy)phenyl]-(2-fluoro-3-methoxyphenyl)methanamine
CID 105025170
1-[3-(difluoromethoxy)phenyl]-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051297
(2-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanamine
CID 115801705
[3-(difluoromethoxy)phenyl]-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561286
1-[3-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852460
[3-(difluoromethoxy)phenyl]-(4-methoxy-3-methylphenyl)methanamine
CID 43379666
2-[chloro-[3-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene
CID 61084726
1-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482866
[[3-(difluoromethoxy)phenyl]-(2,5-difluorophenyl)methyl]hydrazine
CID 105303330
(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 63672562
(2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 105394638

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine?
The IUPAC name of [3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine (CID 115852067) is [3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for [3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for [3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine is Cc1ccc(F)cc1C(N)c1cccc(OC(F)F)c1.
What is the InChIKey of [3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine?
The InChIKey is DTOGBGQFJICBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-9-5-6-11(16)8-13(9)14(19)10-3-2-4-12(7-10)20-15(17)18/h2-8,14-15H,19H2,1H3.
What are the key properties of [3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine?
[3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine has a molecular weight of 281.28 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 115852067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).