[3-(difluoromethoxy)phenyl]-(2-fluoro-3-methoxyphenyl)methanamine

C15H14F3NO2 — CID 105025170

IUPAC[3-(difluoromethoxy)phenyl]-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2cccc(OC(F)F)c2)c1F
InChIInChI=1S/C15H14F3NO2/c1-20-12-7-3-6-11(13(12)16)14(19)9-4-2-5-10(8-9)21-15(17)18/h2-8,14-15H,19H2,1H3
InChIKeyHZFSFZNSOUMAJG-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.48
Rot. Bonds5

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

[3-(difluoromethoxy)phenyl]-(2-fluoro-3-methoxyphenyl)methanamine (PubChem CID 105025170) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is [3-(difluoromethoxy)phenyl]-(2-fluoro-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name[3-(difluoromethoxy)phenyl]-(2-fluoro-3-methoxyphenyl)methanamine
PubChem CID105025170
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name[3-(difluoromethoxy)phenyl]-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2cccc(OC(F)F)c2)c1F
InChIInChI=1S/C15H14F3NO2/c1-20-12-7-3-6-11(13(12)16)14(19)9-4-2-5-10(8-9)21-15(17)18/h2-8,14-15H,19H2,1H3
InChIKeyHZFSFZNSOUMAJG-UHFFFAOYSA-N
XLogP3.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808205
[3-(difluoromethoxy)phenyl]-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561286
(2-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 82793131
(3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024853
[3-(difluoromethoxy)phenyl]-(4-methoxy-3-methylphenyl)methanamine
CID 43379666
[3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine
CID 115852067
(2-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanamine
CID 115801705
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107994800
(2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine
CID 82807035
(R)-(2-fluoro-3-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171248230
2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024896

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)phenyl]-(2-fluoro-3-methoxyphenyl)methanamine?
The IUPAC name of [3-(difluoromethoxy)phenyl]-(2-fluoro-3-methoxyphenyl)methanamine (CID 105025170) is [3-(difluoromethoxy)phenyl]-(2-fluoro-3-methoxyphenyl)methanamine.
What is the SMILES notation for [3-(difluoromethoxy)phenyl]-(2-fluoro-3-methoxyphenyl)methanamine?
The canonical SMILES for [3-(difluoromethoxy)phenyl]-(2-fluoro-3-methoxyphenyl)methanamine is COc1cccc(C(N)c2cccc(OC(F)F)c2)c1F.
What is the InChIKey of [3-(difluoromethoxy)phenyl]-(2-fluoro-3-methoxyphenyl)methanamine?
The InChIKey is HZFSFZNSOUMAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-20-12-7-3-6-11(13(12)16)14(19)9-4-2-5-10(8-9)21-15(17)18/h2-8,14-15H,19H2,1H3.
What are the key properties of [3-(difluoromethoxy)phenyl]-(2-fluoro-3-methoxyphenyl)methanamine?
[3-(difluoromethoxy)phenyl]-(2-fluoro-3-methoxyphenyl)methanamine has a molecular weight of 297.28 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)phenyl]-(2-fluoro-3-methoxyphenyl)methanamine is sourced from PubChem (CID 105025170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).