(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanamine

C14H11BrF3N — CID 115855266

IUPAC(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
SMILESCc1c(Br)cccc1C(N)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H11BrF3N/c1-7-8(3-2-4-10(7)15)14(19)9-5-6-11(16)13(18)12(9)17/h2-6,14H,19H2,1H3
InChIKeyRNIQYWNXAIVSDL-UHFFFAOYSA-N
MW330.15 g/mol
LogP4.22
Rot. Bonds2

About (3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanamine

(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanamine (PubChem CID 115855266) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is (3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
PubChem CID115855266
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
SMILESCc1c(Br)cccc1C(N)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H11BrF3N/c1-7-8(3-2-4-10(7)15)14(19)9-5-6-11(16)13(18)12(9)17/h2-6,14H,19H2,1H3
InChIKeyRNIQYWNXAIVSDL-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 54.22
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-bromophenyl)-(2,3-difluorophenyl)methanamine
CID 63989436
(3-bromo-2-fluorophenyl)-(4-chloro-2-methylphenyl)methanamine
CID 114028370
(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115855341
(2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107538714
(2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107538884
(2,5-dibromophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 79750062
(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985569
(3-bromo-2-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 107950729
(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115852670
(2-bromo-3,4-difluorophenyl)-(2-methylphenyl)methanamine
CID 107538762
(3-bromo-2-methylphenyl)-(2-methylthiophen-3-yl)methanamine
CID 102840617
(7-bromo-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105146562

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of (3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanamine (CID 115855266) is (3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for (3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for (3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanamine is Cc1c(Br)cccc1C(N)c1ccc(F)c(F)c1F.
What is the InChIKey of (3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is RNIQYWNXAIVSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c1-7-8(3-2-4-10(7)15)14(19)9-5-6-11(16)13(18)12(9)17/h2-6,14H,19H2,1H3.
What are the key properties of (3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanamine?
(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 330.15 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 115855266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).