(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine

C14H11F4N — CID 115852670

IUPAC(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2ccc(F)c(F)c2F)c1
InChIInChI=1S/C14H11F4N/c1-7-2-4-10(15)9(6-7)14(19)8-3-5-11(16)13(18)12(8)17/h2-6,14H,19H2,1H3
InChIKeyMFGKPZBHRAKPLE-UHFFFAOYSA-N
MW269.24 g/mol
LogP3.60
Rot. Bonds2

About (2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine

(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine (PubChem CID 115852670) has the molecular formula C14H11F4N and a molecular weight of 269.24 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
PubChem CID115852670
Molecular FormulaC14H11F4N
Molecular Weight269.24 g/mol
Exact Mass269.08
IUPAC Name(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2ccc(F)c(F)c2F)c1
InChIInChI=1S/C14H11F4N/c1-7-2-4-10(15)9(6-7)14(19)8-3-5-11(16)13(18)12(8)17/h2-6,14H,19H2,1H3
InChIKeyMFGKPZBHRAKPLE-UHFFFAOYSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 53.60
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

(2,6-difluoro-3-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852896
(2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 106883591
(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 62515845
(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62515674
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
(2,3-difluorophenyl)-(2,5-dimethylphenyl)methanamine
CID 55101767
(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62514630
(4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852897
(2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62514124
(4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514648
(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 107475989

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of (2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine (CID 115852670) is (2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for (2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine is Cc1ccc(F)c(C(N)c2ccc(F)c(F)c2F)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is MFGKPZBHRAKPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N/c1-7-2-4-10(15)9(6-7)14(19)8-3-5-11(16)13(18)12(8)17/h2-6,14H,19H2,1H3.
What are the key properties of (2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine?
(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 269.24 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 115852670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).