(4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine

C15H14BrClFN — CID 105398601

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(C(N)c2cc(Cl)c(Br)cc2F)c1
InChIInChI=1S/C15H14BrClFN/c1-8-3-9(2)5-10(4-8)15(19)11-6-13(17)12(16)7-14(11)18/h3-7,15H,19H2,1-2H3
InChIKeyHEEAQTSFXXJMOO-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.91
Rot. Bonds2

About (4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine

(4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine (PubChem CID 105398601) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
PubChem CID105398601
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(C(N)c2cc(Cl)c(Br)cc2F)c1
InChIInChI=1S/C15H14BrClFN/c1-8-3-9(2)5-10(4-8)15(19)11-6-13(17)12(16)7-14(11)18/h3-7,15H,19H2,1-2H3
InChIKeyHEEAQTSFXXJMOO-UHFFFAOYSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-methylphenyl)methanamine
CID 105398591
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromophenyl)methanamine
CID 105398676
(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107982138
(4-bromo-5-chloro-2-fluorophenyl)-(2,4-difluorophenyl)methanamine
CID 105398640
(5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine
CID 105011988
(4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 63081418
(4-bromo-5-chloro-2-fluorophenyl)-(furan-3-yl)methanamine
CID 105398463
(4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methanamine
CID 105398594
(4-bromo-5-chloro-2-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 105398505
1-bromo-4-[bromo-(2,4,6-trimethylphenyl)methyl]-2-chloro-5-fluorobenzene
CID 105400116
(3-bromo-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 104851342
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 105398664

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine (CID 105398601) is (4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine is Cc1cc(C)cc(C(N)c2cc(Cl)c(Br)cc2F)c1.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine?
The InChIKey is HEEAQTSFXXJMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-8-3-9(2)5-10(4-8)15(19)11-6-13(17)12(16)7-14(11)18/h3-7,15H,19H2,1-2H3.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine?
(4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine has a molecular weight of 342.64 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 105398601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).