(5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine

C13H9BrCl2FN — CID 43344673

IUPAC(5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
SMILESNC(c1cc(Br)ccc1F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9BrCl2FN/c14-7-1-4-12(17)10(5-7)13(18)9-6-8(15)2-3-11(9)16/h1-6,13H,18H2
InChIKeySDCOUUWCZNGMFL-UHFFFAOYSA-N
MW349.03 g/mol
LogP4.94
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine

(5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine (PubChem CID 43344673) has the molecular formula C13H9BrCl2FN and a molecular weight of 349.03 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
PubChem CID43344673
Molecular FormulaC13H9BrCl2FN
Molecular Weight349.03 g/mol
Exact Mass346.93
IUPAC Name(5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
SMILESNC(c1cc(Br)ccc1F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9BrCl2FN/c14-7-1-4-12(17)10(5-7)13(18)9-6-8(15)2-3-11(9)16/h1-6,13H,18H2
InChIKeySDCOUUWCZNGMFL-UHFFFAOYSA-N
XLogP4.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.03
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43378974
(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
(2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344688
(2,5-dibromothiophen-3-yl)-(2,5-dichlorophenyl)methanamine
CID 43345039
(5-bromo-2-pyridinyl)-(2,5-dichlorophenyl)methanamine
CID 115606070
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197530
(2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine
CID 43197872
(4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine
CID 115827987
(5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine
CID 105011988
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171200599
(5-bromo-2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43378947
1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114894465

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine?
The IUPAC name of (5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine (CID 43344673) is (5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine is NC(c1cc(Br)ccc1F)c1cc(Cl)ccc1Cl.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine?
The InChIKey is SDCOUUWCZNGMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2FN/c14-7-1-4-12(17)10(5-7)13(18)9-6-8(15)2-3-11(9)16/h1-6,13H,18H2.
What are the key properties of (5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine?
(5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine has a molecular weight of 349.03 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine is sourced from PubChem (CID 43344673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).