(5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanamine

C13H8BrClF3N — CID 43378951

IUPAC(5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanamine
SMILESNC(c1cc(Br)ccc1Cl)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H8BrClF3N/c14-6-1-2-9(15)8(3-6)13(19)12-10(17)4-7(16)5-11(12)18/h1-5,13H,19H2
InChIKeyXWVGKYGUOALGLL-UHFFFAOYSA-N
MW350.57 g/mol
LogP4.57
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanamine

(5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanamine (PubChem CID 43378951) has the molecular formula C13H8BrClF3N and a molecular weight of 350.57 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanamine
PubChem CID43378951
Molecular FormulaC13H8BrClF3N
Molecular Weight350.57 g/mol
Exact Mass348.95
IUPAC Name(5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanamine
SMILESNC(c1cc(Br)ccc1Cl)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H8BrClF3N/c14-6-1-2-9(15)8(3-6)13(19)12-10(17)4-7(16)5-11(12)18/h1-5,13H,19H2
InChIKeyXWVGKYGUOALGLL-UHFFFAOYSA-N
XLogP4.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.57
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-Bromo-2-chlorophenyl)methanamine
CID 43378979
(5-Bromo-2-chlorophenyl)methanamine hydrochloride
CID 67437601
(2-Chlorophenyl)(2,5-difluorophenyl)methanamine hydrochloride
CID 54595527
1-(5-Bromo-2-chlorophenyl)ethan-1-amine hydrochloride
CID 122360018
(2-Chlorophenyl)(4-fluorophenyl)methanamine
CID 24688739
1-(2-Bromophenyl)-2-(2-chloro-6-fluorophenyl)ethan-1-amine
CID 54594869
(3-Bromophenyl)(3-fluorophenyl)methanamine
CID 60819846
3-(3-Bromo-5-fluorophenyl)-4-(4-chlorophenyl)butan-2-amine
CID 22270718
2-(2-Chloro-6-fluorophenyl)-1-phenylethanamine
CID 24258482
(2S)-3-(3-bromophenyl)-4-(4-chlorophenyl)-3-fluorobutan-2-amine
CID 59682348
(2R)-1-(3-bromo-4-fluorophenyl)-2-(4-chloro-3-methylphenyl)butan-1-amine
CID 67537218
(2-Chloro-5-fluorophenyl)-phenylmethanamine
CID 105394674

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of (5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanamine (CID 43378951) is (5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanamine is NC(c1cc(Br)ccc1Cl)c1c(F)cc(F)cc1F.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is XWVGKYGUOALGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF3N/c14-6-1-2-9(15)8(3-6)13(19)12-10(17)4-7(16)5-11(12)18/h1-5,13H,19H2.
What are the key properties of (5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanamine?
(5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 350.57 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 43378951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).