(4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine

C13H10Br2ClN — CID 43805136

IUPAC(4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine
SMILESNC(c1ccc(Br)cc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H10Br2ClN/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,13H,17H2
InChIKeyAVVDKPYSMQZDNC-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.91
Rot. Bonds2

About (4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine

(4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine (PubChem CID 43805136) has the molecular formula C13H10Br2ClN and a molecular weight of 375.49 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine
PubChem CID43805136
Molecular FormulaC13H10Br2ClN
Molecular Weight375.49 g/mol
Exact Mass372.89
IUPAC Name(4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine
SMILESNC(c1ccc(Br)cc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H10Br2ClN/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,13H,17H2
InChIKeyAVVDKPYSMQZDNC-UHFFFAOYSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine
CID 43805138
(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine
CID 43805150
(4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291877
(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanamine
CID 107945742
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromophenyl)methanamine
CID 105398676
(4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine
CID 115827987
(4-bromo-2-chlorophenyl)-(3-propylphenyl)methanamine
CID 105050353
(4-bromo-2-methylphenyl)-(3,4-dichlorophenyl)methanamine
CID 43629765
(4-bromophenyl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43110162
1-(4-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-amine
CID 112705508
(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethanamine
CID 115860428
(4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106857421

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine?
The IUPAC name of (4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine (CID 43805136) is (4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine is NC(c1ccc(Br)cc1)c1ccc(Br)cc1Cl.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine?
The InChIKey is AVVDKPYSMQZDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2ClN/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,13H,17H2.
What are the key properties of (4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine?
(4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine has a molecular weight of 375.49 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine is sourced from PubChem (CID 43805136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).