(2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine

C15H14F3NO2 — CID 62867795

IUPAC(2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2ccc(F)cc2F)cc1OC
InChIInChI=1S/C15H14F3NO2/c1-20-13-6-10(12(18)7-14(13)21-2)15(19)9-4-3-8(16)5-11(9)17/h3-7,15H,19H2,1-2H3
InChIKeyUQDZHHOFKLDBOO-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.17
Rot. Bonds4

About (2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine

(2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine (PubChem CID 62867795) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
PubChem CID62867795
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name(2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2ccc(F)cc2F)cc1OC
InChIInChI=1S/C15H14F3NO2/c1-20-13-6-10(12(18)7-14(13)21-2)15(19)9-4-3-8(16)5-11(9)17/h3-7,15H,19H2,1-2H3
InChIKeyUQDZHHOFKLDBOO-UHFFFAOYSA-N
XLogP3.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048771
(4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62865509
(2,4-difluorophenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791413
1-[chloro-(2,4-difluorophenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 62866237
(2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283015
(2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine
CID 43118265
(2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 106861063
(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867793
(2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 114369086
(4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 43626661
(3-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 81265393
(2,4-difluorophenyl)-(2-ethoxyphenyl)methanamine
CID 43197762

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The IUPAC name of (2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine (CID 62867795) is (2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for (2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The canonical SMILES for (2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine is COc1cc(F)c(C(N)c2ccc(F)cc2F)cc1OC.
What is the InChIKey of (2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The InChIKey is UQDZHHOFKLDBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-20-13-6-10(12(18)7-14(13)21-2)15(19)9-4-3-8(16)5-11(9)17/h3-7,15H,19H2,1-2H3.
What are the key properties of (2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
(2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine has a molecular weight of 297.28 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 62867795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).