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

C13H8Br2ClF2N — CID 106762682

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-5-fluorophenyl)methanamine
SMILESNC(c1cc(F)cc(Br)c1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C13H8Br2ClF2N/c14-7-3-6(4-8(17)5-7)13(19)9-1-2-10(15)11(16)12(9)18/h1-5,13H,19H2
InChIKeyDQQJQRLBMYQNCN-UHFFFAOYSA-N
MW411.47 g/mol
LogP5.19
Rot. Bonds2

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

(4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-5-fluorophenyl)methanamine (PubChem CID 106762682) has the molecular formula C13H8Br2ClF2N and a molecular weight of 411.47 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-5-fluorophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-5-fluorophenyl)methanamine
PubChem CID106762682
Molecular FormulaC13H8Br2ClF2N
Molecular Weight411.47 g/mol
Exact Mass408.87
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-5-fluorophenyl)methanamine
SMILESNC(c1cc(F)cc(Br)c1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C13H8Br2ClF2N/c14-7-3-6(4-8(17)5-7)13(19)9-1-2-10(15)11(16)12(9)18/h1-5,13H,19H2
InChIKeyDQQJQRLBMYQNCN-UHFFFAOYSA-N
XLogP5.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.47
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 66425066
(4-bromo-3-chloro-2-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine
CID 106764353
(4-bromo-3-chloro-2-fluorophenyl)-thiophen-3-ylmethanamine
CID 106762249
(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 114022238
(4-bromo-3-chloro-2-fluorophenyl)-(4-ethylsulfanylphenyl)methanamine
CID 106848615
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 106645435
(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 106764463
(3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine
CID 66425063
(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine
CID 66423670
(3-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43248329
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-bromo-5-fluorophenyl)methanamine
CID 43248371
(3,5-dibromophenyl)-(2,3-difluorophenyl)methanamine
CID 114023013

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-5-fluorophenyl)methanamine?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-5-fluorophenyl)methanamine (CID 106762682) is (4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-5-fluorophenyl)methanamine.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-5-fluorophenyl)methanamine?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-5-fluorophenyl)methanamine is NC(c1cc(F)cc(Br)c1)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-5-fluorophenyl)methanamine?
The InChIKey is DQQJQRLBMYQNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2ClF2N/c14-7-3-6(4-8(17)5-7)13(19)9-1-2-10(15)11(16)12(9)18/h1-5,13H,19H2.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-5-fluorophenyl)methanamine?
(4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-5-fluorophenyl)methanamine has a molecular weight of 411.47 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-5-fluorophenyl)methanamine is sourced from PubChem (CID 106762682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).