N-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine

C17H19Br2N — CID 43489703

IUPACN-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1C)c1cc(Br)ccc1Br
InChIInChI=1S/C17H19Br2N/c1-4-20-17(14-7-5-11(2)9-12(14)3)15-10-13(18)6-8-16(15)19/h5-10,17,20H,4H2,1-3H3
InChIKeyNQSQMXSMGQUCOR-UHFFFAOYSA-N
MW397.15 g/mol
LogP5.53
Rot. Bonds4

About N-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine

N-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine (PubChem CID 43489703) has the molecular formula C17H19Br2N and a molecular weight of 397.15 g/mol. Its IUPAC name is N-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
PubChem CID43489703
Molecular FormulaC17H19Br2N
Molecular Weight397.15 g/mol
Exact Mass394.99
IUPAC NameN-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1C)c1cc(Br)ccc1Br
InChIInChI=1S/C17H19Br2N/c1-4-20-17(14-7-5-11(2)9-12(14)3)15-10-13(18)6-8-16(15)19/h5-10,17,20H,4H2,1-3H3
InChIKeyNQSQMXSMGQUCOR-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.15
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43805274
N-[(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81110085
N-[(2,5-dibromophenyl)-(3-methylphenyl)methyl]ethanamine
CID 43489695
N-[(3-bromo-2-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 106647623
N-[(5-bromo-2-pyridinyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 115606105
N-[(2,5-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 43489635
N-[(5-bromo-2-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852352
N-[(2-bromo-5-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796785
N-[(4-bromo-2-methylphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 115850255
N-[(2,5-dibromophenyl)-(2-iodophenyl)methyl]ethanamine
CID 43489657
1,4-dibromo-2-[chloro-(2,4-dimethylphenyl)methyl]benzene
CID 63429818
N-[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methyl]ethanamine
CID 106764876

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine (CID 43489703) is N-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine is CCNC(c1ccc(C)cc1C)c1cc(Br)ccc1Br.
What is the InChIKey of N-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine?
The InChIKey is NQSQMXSMGQUCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2N/c1-4-20-17(14-7-5-11(2)9-12(14)3)15-10-13(18)6-8-16(15)19/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine?
N-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine has a molecular weight of 397.15 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 43489703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).