(3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine

C18H22BrN — CID 81472287

IUPAC(3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
SMILESCc1ccc(C(N)c2c(C)c(C)cc(C)c2C)cc1Br
InChIInChI=1S/C18H22BrN/c1-10-6-7-15(9-16(10)19)18(20)17-13(4)11(2)8-12(3)14(17)5/h6-9,18H,20H2,1-5H3
InChIKeyIPKUNGDFLFCNCQ-UHFFFAOYSA-N
MW332.29 g/mol
LogP5.04
Rot. Bonds2

About (3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine

(3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine (PubChem CID 81472287) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
PubChem CID81472287
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC Name(3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
SMILESCc1ccc(C(N)c2c(C)c(C)cc(C)c2C)cc1Br
InChIInChI=1S/C18H22BrN/c1-10-6-7-15(9-16(10)19)18(20)17-13(4)11(2)8-12(3)14(17)5/h6-9,18H,20H2,1-5H3
InChIKeyIPKUNGDFLFCNCQ-UHFFFAOYSA-N
XLogP5.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.29
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine
CID 81472586
(3-bromophenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43107406
1-(3-bromo-4-methylphenyl)ethanamine
CID 70795886
(1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 130731554
1-(3-bromo-4-methylphenyl)propane-1,2-diamine
CID 131002270
(3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483674
(3-chloro-4-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 103219936
(S)-(3-bromo-4-methylphenyl)-thiophen-2-ylmethanamine
CID 171203908
(3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 81471918
(3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 81472595
(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol
CID 66515083
(3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 63523104

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine?
The IUPAC name of (3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine (CID 81472287) is (3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine?
The canonical SMILES for (3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine is Cc1ccc(C(N)c2c(C)c(C)cc(C)c2C)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine?
The InChIKey is IPKUNGDFLFCNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-10-6-7-15(9-16(10)19)18(20)17-13(4)11(2)8-12(3)14(17)5/h6-9,18H,20H2,1-5H3.
What are the key properties of (3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine?
(3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine has a molecular weight of 332.29 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine is sourced from PubChem (CID 81472287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).