(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanamine

C15H14F3NO2 — CID 82106214

IUPAC(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanamine
SMILESCOc1cccc(C(N)c2ccc(F)c(F)c2F)c1OC
InChIInChI=1S/C15H14F3NO2/c1-20-11-5-3-4-9(15(11)21-2)14(19)8-6-7-10(16)13(18)12(8)17/h3-7,14H,19H2,1-2H3
InChIKeyRVVJIFAMKWUJKG-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.17
Rot. Bonds4

About (2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanamine

(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanamine (PubChem CID 82106214) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanamine
PubChem CID82106214
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanamine
SMILESCOc1cccc(C(N)c2ccc(F)c(F)c2F)c1OC
InChIInChI=1S/C15H14F3NO2/c1-20-11-5-3-4-9(15(11)21-2)14(19)8-6-7-10(16)13(18)12(8)17/h3-7,14H,19H2,1-2H3
InChIKeyRVVJIFAMKWUJKG-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol
CID 63895257
(2,3-dimethoxyphenyl)-(4-fluoro-2-methylphenyl)methanamine
CID 105142755
(2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107538884
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine
CID 115862069
[(2-fluoro-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105329259
(5-chloro-2-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024912
(3-bromo-2,4-dimethoxyphenyl)-(3-bromo-2-fluorophenyl)methanamine
CID 107950938
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105035477
(2-amino-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol
CID 107469586
(2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine
CID 105174775
(4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 114906146

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of (2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanamine (CID 82106214) is (2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for (2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for (2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanamine is COc1cccc(C(N)c2ccc(F)c(F)c2F)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is RVVJIFAMKWUJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-20-11-5-3-4-9(15(11)21-2)14(19)8-6-7-10(16)13(18)12(8)17/h3-7,14H,19H2,1-2H3.
What are the key properties of (2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanamine?
(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)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 (2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 82106214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).