[3-(difluoromethoxy)phenyl]-(2-fluoro-4-methoxyphenyl)methanamine

C15H14F3NO2 — CID 43561286

IUPAC[3-(difluoromethoxy)phenyl]-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cccc(OC(F)F)c2)c(F)c1
InChIInChI=1S/C15H14F3NO2/c1-20-10-5-6-12(13(16)8-10)14(19)9-3-2-4-11(7-9)21-15(17)18/h2-8,14-15H,19H2,1H3
InChIKeyQJDWMWCOYYGXHH-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.48
Rot. Bonds5

About [3-(difluoromethoxy)phenyl]-(2-fluoro-4-methoxyphenyl)methanamine

[3-(difluoromethoxy)phenyl]-(2-fluoro-4-methoxyphenyl)methanamine (PubChem CID 43561286) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is [3-(difluoromethoxy)phenyl]-(2-fluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name[3-(difluoromethoxy)phenyl]-(2-fluoro-4-methoxyphenyl)methanamine
PubChem CID43561286
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name[3-(difluoromethoxy)phenyl]-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cccc(OC(F)F)c2)c(F)c1
InChIInChI=1S/C15H14F3NO2/c1-20-10-5-6-12(13(16)8-10)14(19)9-3-2-4-11(7-9)21-15(17)18/h2-8,14-15H,19H2,1H3
InChIKeyQJDWMWCOYYGXHH-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

(2-fluoro-4-methoxyphenyl)-phenylmethanamine
CID 43561220
(2-fluorophenyl)-(3-methoxyphenyl)methanamine
CID 62501632
[3-(difluoromethoxy)phenyl]-(2-fluoro-3-methoxyphenyl)methanamine
CID 105025170
[3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine
CID 115852067
(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanamine
CID 115785913
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882911
(4-bromophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561243
(2,6-dimethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561193
1-[bromo-[3-(difluoromethoxy)phenyl]methyl]-2-chloro-4-methoxybenzene
CID 63442982
(2-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanamine
CID 115801705
[3-(difluoromethoxy)phenyl]-(4-methoxy-3-methylphenyl)methanamine
CID 43379666
(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 61032943

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)phenyl]-(2-fluoro-4-methoxyphenyl)methanamine?
The IUPAC name of [3-(difluoromethoxy)phenyl]-(2-fluoro-4-methoxyphenyl)methanamine (CID 43561286) is [3-(difluoromethoxy)phenyl]-(2-fluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for [3-(difluoromethoxy)phenyl]-(2-fluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for [3-(difluoromethoxy)phenyl]-(2-fluoro-4-methoxyphenyl)methanamine is COc1ccc(C(N)c2cccc(OC(F)F)c2)c(F)c1.
What is the InChIKey of [3-(difluoromethoxy)phenyl]-(2-fluoro-4-methoxyphenyl)methanamine?
The InChIKey is QJDWMWCOYYGXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-20-10-5-6-12(13(16)8-10)14(19)9-3-2-4-11(7-9)21-15(17)18/h2-8,14-15H,19H2,1H3.
What are the key properties of [3-(difluoromethoxy)phenyl]-(2-fluoro-4-methoxyphenyl)methanamine?
[3-(difluoromethoxy)phenyl]-(2-fluoro-4-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-4-methoxyphenyl)methanamine is sourced from PubChem (CID 43561286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).