(2,3,5,6-tetramethylphenyl)-(3,4,5-trifluorophenyl)methanamine

C17H18F3N — CID 63184968

IUPAC(2,3,5,6-tetramethylphenyl)-(3,4,5-trifluorophenyl)methanamine
SMILESCc1cc(C)c(C)c(C(N)c2cc(F)c(F)c(F)c2)c1C
InChIInChI=1S/C17H18F3N/c1-8-5-9(2)11(4)15(10(8)3)17(21)12-6-13(18)16(20)14(19)7-12/h5-7,17H,21H2,1-4H3
InChIKeyGSHUSWLPPOGLKF-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.39
Rot. Bonds2

About (2,3,5,6-tetramethylphenyl)-(3,4,5-trifluorophenyl)methanamine

(2,3,5,6-tetramethylphenyl)-(3,4,5-trifluorophenyl)methanamine (PubChem CID 63184968) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is (2,3,5,6-tetramethylphenyl)-(3,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(2,3,5,6-tetramethylphenyl)-(3,4,5-trifluorophenyl)methanamine
PubChem CID63184968
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name(2,3,5,6-tetramethylphenyl)-(3,4,5-trifluorophenyl)methanamine
SMILESCc1cc(C)c(C)c(C(N)c2cc(F)c(F)c(F)c2)c1C
InChIInChI=1S/C17H18F3N/c1-8-5-9(2)11(4)15(10(8)3)17(21)12-6-13(18)16(20)14(19)7-12/h5-7,17H,21H2,1-4H3
InChIKeyGSHUSWLPPOGLKF-UHFFFAOYSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.39
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

(3-fluoro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43109404
(4-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methanamine
CID 66272704
(3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 81472287
(5-methylfuran-2-yl)-(3,4,5-trifluorophenyl)methanamine
CID 63185829
(4-propan-2-ylphenyl)-(3,4,5-trifluorophenyl)methanamine
CID 62801900
(3-bromophenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43107406
(3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 115796552
(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 102882564
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 82814367
(3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43197723
(3-chloro-4-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 103219936
(2-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43095843

Frequently Asked Questions

What is the IUPAC name of (2,3,5,6-tetramethylphenyl)-(3,4,5-trifluorophenyl)methanamine?
The IUPAC name of (2,3,5,6-tetramethylphenyl)-(3,4,5-trifluorophenyl)methanamine (CID 63184968) is (2,3,5,6-tetramethylphenyl)-(3,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for (2,3,5,6-tetramethylphenyl)-(3,4,5-trifluorophenyl)methanamine?
The canonical SMILES for (2,3,5,6-tetramethylphenyl)-(3,4,5-trifluorophenyl)methanamine is Cc1cc(C)c(C)c(C(N)c2cc(F)c(F)c(F)c2)c1C.
What is the InChIKey of (2,3,5,6-tetramethylphenyl)-(3,4,5-trifluorophenyl)methanamine?
The InChIKey is GSHUSWLPPOGLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-8-5-9(2)11(4)15(10(8)3)17(21)12-6-13(18)16(20)14(19)7-12/h5-7,17H,21H2,1-4H3.
What are the key properties of (2,3,5,6-tetramethylphenyl)-(3,4,5-trifluorophenyl)methanamine?
(2,3,5,6-tetramethylphenyl)-(3,4,5-trifluorophenyl)methanamine has a molecular weight of 293.33 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,5,6-tetramethylphenyl)-(3,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 63184968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).