(4-bromophenyl)-(2,4,5-trimethylphenyl)methanamine

C16H18BrN — CID 64990399

IUPAC(4-bromophenyl)-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2ccc(Br)cc2)cc1C
InChIInChI=1S/C16H18BrN/c1-10-8-12(3)15(9-11(10)2)16(18)13-4-6-14(17)7-5-13/h4-9,16H,18H2,1-3H3
InChIKeyVZOFJBLTBLUPCS-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.42
Rot. Bonds2

About (4-bromophenyl)-(2,4,5-trimethylphenyl)methanamine

(4-bromophenyl)-(2,4,5-trimethylphenyl)methanamine (PubChem CID 64990399) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is (4-bromophenyl)-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromophenyl)-(2,4,5-trimethylphenyl)methanamine
PubChem CID64990399
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name(4-bromophenyl)-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2ccc(Br)cc2)cc1C
InChIInChI=1S/C16H18BrN/c1-10-8-12(3)15(9-11(10)2)16(18)13-4-6-14(17)7-5-13/h4-9,16H,18H2,1-3H3
InChIKeyVZOFJBLTBLUPCS-UHFFFAOYSA-N
XLogP4.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine
CID 62791686
(4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 114330259
(4-bromo-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990701
(4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990516
(3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine
CID 81472586
(4-bromo-2-methylphenyl)-(4-butylphenyl)methanamine
CID 43629735
(4-bromophenyl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43110162
(5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine
CID 65307979
(4-bromo-2-methylphenyl)-(3,4-dichlorophenyl)methanamine
CID 43629765
(4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine
CID 43805136
(3-iodophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990382
(5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine
CID 115851118

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of (4-bromophenyl)-(2,4,5-trimethylphenyl)methanamine (CID 64990399) is (4-bromophenyl)-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for (4-bromophenyl)-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for (4-bromophenyl)-(2,4,5-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)c2ccc(Br)cc2)cc1C.
What is the InChIKey of (4-bromophenyl)-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is VZOFJBLTBLUPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-10-8-12(3)15(9-11(10)2)16(18)13-4-6-14(17)7-5-13/h4-9,16H,18H2,1-3H3.
What are the key properties of (4-bromophenyl)-(2,4,5-trimethylphenyl)methanamine?
(4-bromophenyl)-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 304.23 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 64990399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).