(4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)methanamine

C18H22BrN — CID 114330259

IUPAC(4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2cc(C)c(Br)c(C)c2)cc1C
InChIInChI=1S/C18H22BrN/c1-10-6-12(3)16(9-11(10)2)18(20)15-7-13(4)17(19)14(5)8-15/h6-9,18H,20H2,1-5H3
InChIKeyUESGZZITNOPOJL-UHFFFAOYSA-N
MW332.29 g/mol
LogP5.04
Rot. Bonds2

About (4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)methanamine

(4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)methanamine (PubChem CID 114330259) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)methanamine
PubChem CID114330259
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC Name(4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2cc(C)c(Br)c(C)c2)cc1C
InChIInChI=1S/C18H22BrN/c1-10-6-12(3)16(9-11(10)2)18(20)15-7-13(4)17(19)14(5)8-15/h6-9,18H,20H2,1-5H3
InChIKeyUESGZZITNOPOJL-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

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Related Compounds

(4-bromophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 64990399
(4-bromo-3,5-dimethylphenyl)-(2-methylphenyl)methanamine
CID 114330275
(4-bromo-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990701
(4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990516
(4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine
CID 106646192
(3-bromo-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032843
(4-bromo-3,5-dimethylphenyl)-(5-methylthiophen-3-yl)methanamine
CID 114330142
(2,4,5-trimethylphenyl)methanediamine
CID 66789754
(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethylphenyl)methanamine
CID 107950603
(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanamine
CID 107950627
(4-bromo-3,5-dimethylphenyl)-(furan-3-yl)methanamine
CID 114330324
(3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032704

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)methanamine (CID 114330259) is (4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)c2cc(C)c(Br)c(C)c2)cc1C.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is UESGZZITNOPOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-10-6-12(3)16(9-11(10)2)18(20)15-7-13(4)17(19)14(5)8-15/h6-9,18H,20H2,1-5H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)methanamine?
(4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)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 (4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 114330259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).