N-[(2,5-dibromophenyl)-(3-methylphenyl)methyl]ethanamine

C16H17Br2N — CID 43489695

IUPACN-[(2,5-dibromophenyl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C16H17Br2N/c1-3-19-16(12-6-4-5-11(2)9-12)14-10-13(17)7-8-15(14)18/h4-10,16,19H,3H2,1-2H3
InChIKeyDZBPGXAFKWTBJV-UHFFFAOYSA-N
MW383.13 g/mol
LogP5.22
Rot. Bonds4

About N-[(2,5-dibromophenyl)-(3-methylphenyl)methyl]ethanamine

N-[(2,5-dibromophenyl)-(3-methylphenyl)methyl]ethanamine (PubChem CID 43489695) has the molecular formula C16H17Br2N and a molecular weight of 383.13 g/mol. Its IUPAC name is N-[(2,5-dibromophenyl)-(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dibromophenyl)-(3-methylphenyl)methyl]ethanamine
PubChem CID43489695
Molecular FormulaC16H17Br2N
Molecular Weight383.13 g/mol
Exact Mass380.97
IUPAC NameN-[(2,5-dibromophenyl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C16H17Br2N/c1-3-19-16(12-6-4-5-11(2)9-12)14-10-13(17)7-8-15(14)18/h4-10,16,19H,3H2,1-2H3
InChIKeyDZBPGXAFKWTBJV-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.13
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(2,5-dibromophenyl)-(3-methylphenyl)methyl]hydrazine
CID 105284904
N-[(2-bromo-5-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796785
N-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43489703
N-[(2,5-dibromophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43495338
N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018537
N-[(3-bromo-4-chlorophenyl)-(3-methylphenyl)methyl]ethanamine
CID 115567422
N-[(3-chloro-4-iodophenyl)-(2,5-dibromophenyl)methyl]ethanamine
CID 103220094
N-[(3-bromo-2,6-difluorophenyl)-(3-methylphenyl)methyl]ethanamine
CID 106942276
N-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 115790326
N-[(3-bromo-4-fluorophenyl)-(2-bromo-5-methylphenyl)methyl]ethanamine
CID 81109551
N-[(2,5-dibromophenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 63509311
N-[(2,5-dibromophenyl)-(2-iodophenyl)methyl]ethanamine
CID 43489657

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dibromophenyl)-(3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dibromophenyl)-(3-methylphenyl)methyl]ethanamine (CID 43489695) is N-[(2,5-dibromophenyl)-(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dibromophenyl)-(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dibromophenyl)-(3-methylphenyl)methyl]ethanamine is CCNC(c1cccc(C)c1)c1cc(Br)ccc1Br.
What is the InChIKey of N-[(2,5-dibromophenyl)-(3-methylphenyl)methyl]ethanamine?
The InChIKey is DZBPGXAFKWTBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2N/c1-3-19-16(12-6-4-5-11(2)9-12)14-10-13(17)7-8-15(14)18/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(2,5-dibromophenyl)-(3-methylphenyl)methyl]ethanamine?
N-[(2,5-dibromophenyl)-(3-methylphenyl)methyl]ethanamine has a molecular weight of 383.13 g/mol, XLogP of 5.22, 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)-(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 43489695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).