(2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine

C15H13F4N — CID 106883591

IUPAC(2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine
SMILESCc1cc(C)c(C(N)c2ccc(F)c(F)c2F)c(F)c1
InChIInChI=1S/C15H13F4N/c1-7-5-8(2)12(11(17)6-7)15(20)9-3-4-10(16)14(19)13(9)18/h3-6,15H,20H2,1-2H3
InChIKeyDOPUXVBPKVOYTI-UHFFFAOYSA-N
MW283.27 g/mol
LogP3.91
Rot. Bonds2

About (2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine

(2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine (PubChem CID 106883591) has the molecular formula C15H13F4N and a molecular weight of 283.27 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine
PubChem CID106883591
Molecular FormulaC15H13F4N
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine
SMILESCc1cc(C)c(C(N)c2ccc(F)c(F)c2F)c(F)c1
InChIInChI=1S/C15H13F4N/c1-7-5-8(2)12(11(17)6-7)15(20)9-3-4-10(16)14(19)13(9)18/h3-6,15H,20H2,1-2H3
InChIKeyDOPUXVBPKVOYTI-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881519
(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 62515845
(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115852670
(2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methanamine
CID 106881970
(2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 115855177
(2-chloro-3-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883863
(5-chloro-2-methoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883905
(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 106881261
(4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 115855292
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883395
(2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine
CID 107515958
(3-chloro-4-methylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 103405997

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine (CID 106883591) is (2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine is Cc1cc(C)c(C(N)c2ccc(F)c(F)c2F)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is DOPUXVBPKVOYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N/c1-7-5-8(2)12(11(17)6-7)15(20)9-3-4-10(16)14(19)13(9)18/h3-6,15H,20H2,1-2H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine?
(2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 283.27 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 106883591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).