[2-(4-bromo-3-chloro-2-fluorophenyl)-5-chlorophenyl]methanamine

C13H9BrCl2FN — CID 106763212

IUPAC[2-(4-bromo-3-chloro-2-fluorophenyl)-5-chlorophenyl]methanamine
SMILESNCc1cc(Cl)ccc1-c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C13H9BrCl2FN/c14-11-4-3-10(13(17)12(11)16)9-2-1-8(15)5-7(9)6-18/h1-5H,6,18H2
InChIKeyYHANLUIGBWUPAO-UHFFFAOYSA-N
MW349.03 g/mol
LogP5.02
Rot. Bonds2

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

[2-(4-bromo-3-chloro-2-fluorophenyl)-5-chlorophenyl]methanamine (PubChem CID 106763212) has the molecular formula C13H9BrCl2FN and a molecular weight of 349.03 g/mol. Its IUPAC name is [2-(4-bromo-3-chloro-2-fluorophenyl)-5-chlorophenyl]methanamine.

Molecular Properties

Compound Name[2-(4-bromo-3-chloro-2-fluorophenyl)-5-chlorophenyl]methanamine
PubChem CID106763212
Molecular FormulaC13H9BrCl2FN
Molecular Weight349.03 g/mol
Exact Mass346.93
IUPAC Name[2-(4-bromo-3-chloro-2-fluorophenyl)-5-chlorophenyl]methanamine
SMILESNCc1cc(Cl)ccc1-c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C13H9BrCl2FN/c14-11-4-3-10(13(17)12(11)16)9-2-1-8(15)5-7(9)6-18/h1-5H,6,18H2
InChIKeyYHANLUIGBWUPAO-UHFFFAOYSA-N
XLogP5.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.03
LogP ≤ 55.02
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

[2-(3-bromo-2,6-difluorophenyl)-5-chlorophenyl]methanamine
CID 106943291
[5-chloro-2-(2,4-difluorophenyl)phenyl]methanamine
CID 66159329
[5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine
CID 66159336
[2-[2-(aminomethyl)-4-chlorophenyl]phenyl]methanamine
CID 143648199
[2-(2,5-dichlorophenyl)-5-fluorophenyl]methanamine
CID 104729171
2-(4-bromo-3-chloro-2-fluorophenyl)aniline
CID 106763141
4-(4-bromo-3-chloro-2-fluorophenyl)-6-methylpyrimidin-2-amine
CID 106763727
[5-chloro-2-(4-chloronaphthalen-1-yl)phenyl]methanamine
CID 79597387
(4-bromo-2,3-difluorophenyl)methanamine
CID 66820102
[5-chloro-2-(2,5-dimethylphenyl)phenyl]methanamine
CID 66159326
1-[4-(4-bromo-3-chloro-2-fluorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 106763208
[5-chloro-2-(2-methoxyphenyl)phenyl]methanamine
CID 66160291

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-3-chloro-2-fluorophenyl)-5-chlorophenyl]methanamine?
The IUPAC name of [2-(4-bromo-3-chloro-2-fluorophenyl)-5-chlorophenyl]methanamine (CID 106763212) is [2-(4-bromo-3-chloro-2-fluorophenyl)-5-chlorophenyl]methanamine.
What is the SMILES notation for [2-(4-bromo-3-chloro-2-fluorophenyl)-5-chlorophenyl]methanamine?
The canonical SMILES for [2-(4-bromo-3-chloro-2-fluorophenyl)-5-chlorophenyl]methanamine is NCc1cc(Cl)ccc1-c1ccc(Br)c(Cl)c1F.
What is the InChIKey of [2-(4-bromo-3-chloro-2-fluorophenyl)-5-chlorophenyl]methanamine?
The InChIKey is YHANLUIGBWUPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2FN/c14-11-4-3-10(13(17)12(11)16)9-2-1-8(15)5-7(9)6-18/h1-5H,6,18H2.
What are the key properties of [2-(4-bromo-3-chloro-2-fluorophenyl)-5-chlorophenyl]methanamine?
[2-(4-bromo-3-chloro-2-fluorophenyl)-5-chlorophenyl]methanamine has a molecular weight of 349.03 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-3-chloro-2-fluorophenyl)-5-chlorophenyl]methanamine is sourced from PubChem (CID 106763212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).