(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine

C15H14F3NO2 — CID 103301943

IUPAC(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine
SMILESCOc1cccc(OC)c1C(N)c1cc(F)c(F)cc1F
InChIInChI=1S/C15H14F3NO2/c1-20-12-4-3-5-13(21-2)14(12)15(19)8-6-10(17)11(18)7-9(8)16/h3-7,15H,19H2,1-2H3
InChIKeyJKIKVQWXMSEBPN-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.17
Rot. Bonds4

About (2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine

(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine (PubChem CID 103301943) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine
PubChem CID103301943
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine
SMILESCOc1cccc(OC)c1C(N)c1cc(F)c(F)cc1F
InChIInChI=1S/C15H14F3NO2/c1-20-12-4-3-5-13(21-2)14(12)15(19)8-6-10(17)11(18)7-9(8)16/h3-7,15H,19H2,1-2H3
InChIKeyJKIKVQWXMSEBPN-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_1', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanamine
CID 114885870
(2,6-dimethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561193
(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122398
(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 105051988
(4-bromo-5-chloro-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 105398478
(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122336
(2-fluoro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 65434780
(2,6-dimethoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43626072
(4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024829
(2,5-dibromophenyl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 65433424
(2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867795
1-[bromo-(2,6-dimethoxyphenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477523

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine?
The IUPAC name of (2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine (CID 103301943) is (2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine?
The canonical SMILES for (2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine is COc1cccc(OC)c1C(N)c1cc(F)c(F)cc1F.
What is the InChIKey of (2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine?
The InChIKey is JKIKVQWXMSEBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-20-12-4-3-5-13(21-2)14(12)15(19)8-6-10(17)11(18)7-9(8)16/h3-7,15H,19H2,1-2H3.
What are the key properties of (2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine?
(2,6-dimethoxyphenyl)-(2,4,5-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 (2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 103301943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).