(2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine

C14H11BrF3N — CID 103301728

IUPAC(2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine
SMILESCc1ccc(Br)c(C(N)c2cc(F)c(F)cc2F)c1
InChIInChI=1S/C14H11BrF3N/c1-7-2-3-10(15)8(4-7)14(19)9-5-12(17)13(18)6-11(9)16/h2-6,14H,19H2,1H3
InChIKeyBHNYFOAFWLRCGG-UHFFFAOYSA-N
MW330.15 g/mol
LogP4.22
Rot. Bonds2

About (2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine

(2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine (PubChem CID 103301728) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine
PubChem CID103301728
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name(2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine
SMILESCc1ccc(Br)c(C(N)c2cc(F)c(F)cc2F)c1
InChIInChI=1S/C14H11BrF3N/c1-7-2-3-10(15)8(4-7)14(19)9-5-12(17)13(18)6-11(9)16/h2-6,14H,19H2,1H3
InChIKeyBHNYFOAFWLRCGG-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_1', 'substructure': 'N/A'}

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Related Compounds

1-[bromo-(2-bromo-5-methylphenyl)methyl]-2,4,5-trifluorobenzene
CID 103304191
(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
CID 81110281
(2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79725047
(2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130353
(4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 105056543
(2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301576
bis(2-bromo-4-methylphenyl)methanamine
CID 139840771
(1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine
CID 131010900
(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62515674
(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115852670
(3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 114019265
(2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 114369086

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine?
The IUPAC name of (2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine (CID 103301728) is (2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine?
The canonical SMILES for (2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine is Cc1ccc(Br)c(C(N)c2cc(F)c(F)cc2F)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine?
The InChIKey is BHNYFOAFWLRCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c1-7-2-3-10(15)8(4-7)14(19)9-5-12(17)13(18)6-11(9)16/h2-6,14H,19H2,1H3.
What are the key properties of (2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine?
(2-bromo-5-methylphenyl)-(2,4,5-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 (2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 103301728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).