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

C13H9BrCl3N — CID 43378974

IUPAC(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine
SMILESNC(c1cc(Cl)ccc1Cl)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H9BrCl3N/c14-7-1-3-11(16)9(5-7)13(18)10-6-8(15)2-4-12(10)17/h1-6,13H,18H2
InChIKeyVSASFERXTPPVEH-UHFFFAOYSA-N
MW365.49 g/mol
LogP5.46
Rot. Bonds2

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

(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine (PubChem CID 43378974) has the molecular formula C13H9BrCl3N and a molecular weight of 365.49 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine
PubChem CID43378974
Molecular FormulaC13H9BrCl3N
Molecular Weight365.49 g/mol
Exact Mass362.90
IUPAC Name(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine
SMILESNC(c1cc(Cl)ccc1Cl)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H9BrCl3N/c14-7-1-3-11(16)9(5-7)13(18)10-6-8(15)2-4-12(10)17/h1-6,13H,18H2
InChIKeyVSASFERXTPPVEH-UHFFFAOYSA-N
XLogP5.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.49
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344673
(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
(2,5-dibromothiophen-3-yl)-(2,5-dichlorophenyl)methanamine
CID 43345039
(5-bromo-2-pyridinyl)-(2,5-dichlorophenyl)methanamine
CID 115606070
(5-bromo-2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43378947
(5-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 65307651
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 63445029
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 105037869
1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63444065
(2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344688
4-bromo-2-[(2,5-dichlorophenyl)-hydrazinylmethyl]aniline
CID 105263516
(R)-(5-bromo-2-chlorophenyl)-thiophen-2-ylmethanamine
CID 171223566

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine?
The IUPAC name of (5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine (CID 43378974) is (5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine is NC(c1cc(Cl)ccc1Cl)c1cc(Br)ccc1Cl.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine?
The InChIKey is VSASFERXTPPVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl3N/c14-7-1-3-11(16)9(5-7)13(18)10-6-8(15)2-4-12(10)17/h1-6,13H,18H2.
What are the key properties of (5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine?
(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine has a molecular weight of 365.49 g/mol, XLogP of 5.46, 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)-(2,5-dichlorophenyl)methanamine is sourced from PubChem (CID 43378974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).