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

C13H8BrCl2F2N — CID 105398594

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methanamine
SMILESNC(c1cc(Cl)c(Br)cc1F)c1cccc(Cl)c1F
InChIInChI=1S/C13H8BrCl2F2N/c14-8-5-11(17)7(4-10(8)16)13(19)6-2-1-3-9(15)12(6)18/h1-5,13H,19H2
InChIKeyGAIWFJKOMLNXFO-UHFFFAOYSA-N
MW367.02 g/mol
LogP5.08
Rot. Bonds2

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

(4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methanamine (PubChem CID 105398594) has the molecular formula C13H8BrCl2F2N and a molecular weight of 367.02 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methanamine
PubChem CID105398594
Molecular FormulaC13H8BrCl2F2N
Molecular Weight367.02 g/mol
Exact Mass364.92
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methanamine
SMILESNC(c1cc(Cl)c(Br)cc1F)c1cccc(Cl)c1F
InChIInChI=1S/C13H8BrCl2F2N/c14-8-5-11(17)7(4-10(8)16)13(19)6-2-1-3-9(15)12(6)18/h1-5,13H,19H2
InChIKeyGAIWFJKOMLNXFO-UHFFFAOYSA-N
XLogP5.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.02
LogP ≤ 55.08
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)-(2-bromo-3-methylphenyl)methanamine
CID 107982138
(4-bromo-5-chloro-2-fluorophenyl)-(2,4-difluorophenyl)methanamine
CID 105398640
(3-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 81265393
N-[(4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methyl]ethanamine
CID 105399020
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromophenyl)methanamine
CID 105398676
(4-bromo-5-chloro-2-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 105398505
(4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 105398601
(3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine
CID 106648113
(4-bromo-2,5-difluorophenyl)-(3-chloro-2-fluorophenyl)methanol
CID 81264627
(4-bromo-5-chloro-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 105398478
(3-bromofuran-2-yl)-(3-chloro-2-fluorophenyl)methanamine
CID 64713982
(3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513399

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methanamine?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methanamine (CID 105398594) is (4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methanamine.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methanamine?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methanamine is NC(c1cc(Cl)c(Br)cc1F)c1cccc(Cl)c1F.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methanamine?
The InChIKey is GAIWFJKOMLNXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2F2N/c14-8-5-11(17)7(4-10(8)16)13(19)6-2-1-3-9(15)12(6)18/h1-5,13H,19H2.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methanamine?
(4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methanamine has a molecular weight of 367.02 g/mol, XLogP of 5.08, 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-chloro-2-fluorophenyl)methanamine is sourced from PubChem (CID 105398594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).