(3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine

C15H12F5N — CID 115796552

IUPAC(3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
SMILESCc1cc(C)cc(C(N)c2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C15H12F5N/c1-6-3-7(2)5-8(4-6)15(21)9-10(16)12(18)14(20)13(19)11(9)17/h3-5,15H,21H2,1-2H3
InChIKeyLVMPQLDEVDWSHC-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.05
Rot. Bonds2

About (3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine

(3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine (PubChem CID 115796552) has the molecular formula C15H12F5N and a molecular weight of 301.26 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
PubChem CID115796552
Molecular FormulaC15H12F5N
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name(3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
SMILESCc1cc(C)cc(C(N)c2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C15H12F5N/c1-6-3-7(2)5-8(4-6)15(21)9-10(16)12(18)14(20)13(19)11(9)17/h3-5,15H,21H2,1-2H3
InChIKeyLVMPQLDEVDWSHC-UHFFFAOYSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

bis(3,5-dimethylphenyl)methanamine
CID 115796405
(2,6-difluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 79522334
(3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 114979573
(2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine
CID 107515958
(3-chloro-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 106877482
(3-bromo-5-methylphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 104851108
(3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 106877289
(3-chloro-5-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 81323717
(2,4-difluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 43197780
(3-fluoro-5-methylphenyl)-(4-methylphenyl)methanamine
CID 79704327
(4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 63081418
(2,3,5,6-tetramethylphenyl)-(3,4,5-trifluorophenyl)methanamine
CID 63184968

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine?
The IUPAC name of (3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine (CID 115796552) is (3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine.
What is the SMILES notation for (3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine?
The canonical SMILES for (3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine is Cc1cc(C)cc(C(N)c2c(F)c(F)c(F)c(F)c2F)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine?
The InChIKey is LVMPQLDEVDWSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F5N/c1-6-3-7(2)5-8(4-6)15(21)9-10(16)12(18)14(20)13(19)11(9)17/h3-5,15H,21H2,1-2H3.
What are the key properties of (3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine?
(3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine has a molecular weight of 301.26 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine is sourced from PubChem (CID 115796552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).