bis(2-bromo-4-methylphenyl)methanamine

C15H15Br2N — CID 139840771

IUPACbis(2-bromo-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccc(C)cc2Br)c(Br)c1
InChIInChI=1S/C15H15Br2N/c1-9-3-5-11(13(16)7-9)15(18)12-6-4-10(2)8-14(12)17/h3-8,15H,18H2,1-2H3
InChIKeyOTZWZLHYXIUNKL-UHFFFAOYSA-N
MW369.10 g/mol
LogP4.88
Rot. Bonds2

About bis(2-bromo-4-methylphenyl)methanamine

bis(2-bromo-4-methylphenyl)methanamine (PubChem CID 139840771) has the molecular formula C15H15Br2N and a molecular weight of 369.10 g/mol. Its IUPAC name is bis(2-bromo-4-methylphenyl)methanamine.

Molecular Properties

Compound Namebis(2-bromo-4-methylphenyl)methanamine
PubChem CID139840771
Molecular FormulaC15H15Br2N
Molecular Weight369.10 g/mol
Exact Mass366.96
IUPAC Namebis(2-bromo-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccc(C)cc2Br)c(Br)c1
InChIInChI=1S/C15H15Br2N/c1-9-3-5-11(13(16)7-9)15(18)12-6-4-10(2)8-14(12)17/h3-8,15H,18H2,1-2H3
InChIKeyOTZWZLHYXIUNKL-UHFFFAOYSA-N
XLogP4.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.10
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045351
(1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine
CID 130626598
(2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methanamine;hydrochloride
CID 135262901
(1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171240370
(S)-(2-bromo-4-methylphenyl)-thiophen-3-ylmethanamine
CID 171221689
(2S)-2-amino-2-(2-bromo-4-methylphenyl)acetonitrile
CID 130055180
(1R)-1-(2-bromo-4-methylphenyl)-2-fluoroethanamine;hydrochloride
CID 171221659
(2-bromo-4-methylphenyl)-pyridin-3-ylmethanamine
CID 115799755
(1S)-1-(2-bromo-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171221661
(1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride
CID 171261686
(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
CID 81110281
1-(2-bromo-4-methylphenyl)-3-methylbut-2-en-1-amine
CID 105004922

Frequently Asked Questions

What is the IUPAC name of bis(2-bromo-4-methylphenyl)methanamine?
The IUPAC name of bis(2-bromo-4-methylphenyl)methanamine (CID 139840771) is bis(2-bromo-4-methylphenyl)methanamine.
What is the SMILES notation for bis(2-bromo-4-methylphenyl)methanamine?
The canonical SMILES for bis(2-bromo-4-methylphenyl)methanamine is Cc1ccc(C(N)c2ccc(C)cc2Br)c(Br)c1.
What is the InChIKey of bis(2-bromo-4-methylphenyl)methanamine?
The InChIKey is OTZWZLHYXIUNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2N/c1-9-3-5-11(13(16)7-9)15(18)12-6-4-10(2)8-14(12)17/h3-8,15H,18H2,1-2H3.
What are the key properties of bis(2-bromo-4-methylphenyl)methanamine?
bis(2-bromo-4-methylphenyl)methanamine has a molecular weight of 369.10 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-bromo-4-methylphenyl)methanamine is sourced from PubChem (CID 139840771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).