(3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine

C13H9Br3FN — CID 107947115

IUPAC(3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine
SMILESNC(c1ccc(Br)cc1Br)c1cccc(Br)c1F
InChIInChI=1S/C13H9Br3FN/c14-7-4-5-8(11(16)6-7)13(18)9-2-1-3-10(15)12(9)17/h1-6,13H,18H2
InChIKeyPPLCRTZSXYXIPN-UHFFFAOYSA-N
MW437.93 g/mol
LogP5.16
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine

(3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine (PubChem CID 107947115) has the molecular formula C13H9Br3FN and a molecular weight of 437.93 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine
PubChem CID107947115
Molecular FormulaC13H9Br3FN
Molecular Weight437.93 g/mol
Exact Mass434.83
IUPAC Name(3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine
SMILESNC(c1ccc(Br)cc1Br)c1cccc(Br)c1F
InChIInChI=1S/C13H9Br3FN/c14-7-4-5-8(11(16)6-7)13(18)9-2-1-3-10(15)12(9)17/h1-6,13H,18H2
InChIKeyPPLCRTZSXYXIPN-UHFFFAOYSA-N
XLogP5.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.93
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine
CID 106647803
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 106645435
(4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine
CID 106646192
(3-bromo-2-fluorophenyl)-(4-chloro-2-methylphenyl)methanamine
CID 114028370
(2-bromophenyl)-(2,3-difluorophenyl)methanamine
CID 63989436
(3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine
CID 106648113
(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985569
(3-bromo-2-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 107950729
1,4-dibromo-2-[bromo-(3-bromo-2-fluorophenyl)methyl]benzene
CID 107958201
(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 106645247
(3-bromo-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine
CID 106648243
(3-bromo-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 107950245

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine?
The IUPAC name of (3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine (CID 107947115) is (3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine is NC(c1ccc(Br)cc1Br)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine?
The InChIKey is PPLCRTZSXYXIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br3FN/c14-7-4-5-8(11(16)6-7)13(18)9-2-1-3-10(15)12(9)17/h1-6,13H,18H2.
What are the key properties of (3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine?
(3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine has a molecular weight of 437.93 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine is sourced from PubChem (CID 107947115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).