(4-bromo-5-chloro-2-fluorophenyl)-(4-bromophenyl)methanamine

C13H9Br2ClFN — CID 105398676

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-(4-bromophenyl)methanamine
SMILESNC(c1ccc(Br)cc1)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C13H9Br2ClFN/c14-8-3-1-7(2-4-8)13(18)9-5-11(16)10(15)6-12(9)17/h1-6,13H,18H2
InChIKeyGQRSDSPVGKLELP-UHFFFAOYSA-N
MW393.48 g/mol
LogP5.05
Rot. Bonds2

About (4-bromo-5-chloro-2-fluorophenyl)-(4-bromophenyl)methanamine

(4-bromo-5-chloro-2-fluorophenyl)-(4-bromophenyl)methanamine (PubChem CID 105398676) has the molecular formula C13H9Br2ClFN and a molecular weight of 393.48 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-(4-bromophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-(4-bromophenyl)methanamine
PubChem CID105398676
Molecular FormulaC13H9Br2ClFN
Molecular Weight393.48 g/mol
Exact Mass390.88
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-(4-bromophenyl)methanamine
SMILESNC(c1ccc(Br)cc1)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C13H9Br2ClFN/c14-8-3-1-7(2-4-8)13(18)9-5-11(16)10(15)6-12(9)17/h1-6,13H,18H2
InChIKeyGQRSDSPVGKLELP-UHFFFAOYSA-N
XLogP5.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.48
LogP ≤ 55.05
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

(4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 105398601
(4-bromo-5-chloro-2-fluorophenyl)-(furan-3-yl)methanamine
CID 105398463
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-methylphenyl)methanamine
CID 105398591
(4-bromo-5-chloro-2-fluorophenyl)-(2,4-difluorophenyl)methanamine
CID 105398640
(4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methanamine
CID 105398594
1-bromo-2-chloro-4-[chloro-(4-propan-2-ylphenyl)methyl]-5-fluorobenzene
CID 105399635
(4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine
CID 43805136
(4-bromophenyl)-(2-chloro-3-fluorophenyl)methanamine
CID 81454944
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 105398664
(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107982138
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-chlorophenyl)methanol
CID 107991356
(4-bromo-5-chloro-2-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 105398505

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(4-bromophenyl)methanamine?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(4-bromophenyl)methanamine (CID 105398676) is (4-bromo-5-chloro-2-fluorophenyl)-(4-bromophenyl)methanamine.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-(4-bromophenyl)methanamine?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-(4-bromophenyl)methanamine is NC(c1ccc(Br)cc1)c1cc(Cl)c(Br)cc1F.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-(4-bromophenyl)methanamine?
The InChIKey is GQRSDSPVGKLELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2ClFN/c14-8-3-1-7(2-4-8)13(18)9-5-11(16)10(15)6-12(9)17/h1-6,13H,18H2.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-(4-bromophenyl)methanamine?
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromophenyl)methanamine has a molecular weight of 393.48 g/mol, XLogP of 5.05, 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)-(4-bromophenyl)methanamine is sourced from PubChem (CID 105398676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).