(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-methylphenyl)methanamine

C14H11Br2ClFN — CID 105398591

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-methylphenyl)methanamine
SMILESCc1cc(Br)cc(C(N)c2cc(Cl)c(Br)cc2F)c1
InChIInChI=1S/C14H11Br2ClFN/c1-7-2-8(4-9(15)3-7)14(19)10-5-12(17)11(16)6-13(10)18/h2-6,14H,19H2,1H3
InChIKeyQEYUMWMDVZBETF-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.36
Rot. Bonds2

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

(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-methylphenyl)methanamine (PubChem CID 105398591) has the molecular formula C14H11Br2ClFN and a molecular weight of 407.51 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-methylphenyl)methanamine
PubChem CID105398591
Molecular FormulaC14H11Br2ClFN
Molecular Weight407.51 g/mol
Exact Mass404.89
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-methylphenyl)methanamine
SMILESCc1cc(Br)cc(C(N)c2cc(Cl)c(Br)cc2F)c1
InChIInChI=1S/C14H11Br2ClFN/c1-7-2-8(4-9(15)3-7)14(19)10-5-12(17)11(16)6-13(10)18/h2-6,14H,19H2,1H3
InChIKeyQEYUMWMDVZBETF-UHFFFAOYSA-N
XLogP5.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.36
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
(3-bromo-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 104851342
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromophenyl)methanamine
CID 105398676
(3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 114019265
(5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine
CID 105011988
(4-bromo-5-chloro-2-fluorophenyl)-(furan-3-yl)methanamine
CID 105398463
(3-bromo-5-methylphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 104851108
(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
(4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 63081418
1-bromo-4-[bromo-(2,4,6-trimethylphenyl)methyl]-2-chloro-5-fluorobenzene
CID 105400116
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-chlorophenyl)methanol
CID 107955780

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-methylphenyl)methanamine?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-methylphenyl)methanamine (CID 105398591) is (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-methylphenyl)methanamine.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-methylphenyl)methanamine?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-methylphenyl)methanamine is Cc1cc(Br)cc(C(N)c2cc(Cl)c(Br)cc2F)c1.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-methylphenyl)methanamine?
The InChIKey is QEYUMWMDVZBETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClFN/c1-7-2-8(4-9(15)3-7)14(19)10-5-12(17)11(16)6-13(10)18/h2-6,14H,19H2,1H3.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-methylphenyl)methanamine?
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-methylphenyl)methanamine has a molecular weight of 407.51 g/mol, XLogP of 5.36, 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-bromo-5-methylphenyl)methanamine is sourced from PubChem (CID 105398591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).