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

C15H13Br2Cl2N — CID 107974842

IUPACN-[(3,5-dibromophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)cc(Br)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Br2Cl2N/c1-2-20-15(9-5-10(16)7-11(17)6-9)13-8-12(18)3-4-14(13)19/h3-8,15,20H,2H2,1H3
InChIKeyIJIRVEQYCSWOAI-UHFFFAOYSA-N
MW437.99 g/mol
LogP6.22
Rot. Bonds4

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

N-[(3,5-dibromophenyl)-(2,5-dichlorophenyl)methyl]ethanamine (PubChem CID 107974842) has the molecular formula C15H13Br2Cl2N and a molecular weight of 437.99 g/mol. Its IUPAC name is N-[(3,5-dibromophenyl)-(2,5-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dibromophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
PubChem CID107974842
Molecular FormulaC15H13Br2Cl2N
Molecular Weight437.99 g/mol
Exact Mass434.88
IUPAC NameN-[(3,5-dibromophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)cc(Br)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Br2Cl2N/c1-2-20-15(9-5-10(16)7-11(17)6-9)13-8-12(18)3-4-14(13)19/h3-8,15,20H,2H2,1H3
InChIKeyIJIRVEQYCSWOAI-UHFFFAOYSA-N
XLogP6.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.99
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492925
N-[bis(2,5-dichlorophenyl)methyl]ethanamine
CID 43493009
N-[(5-bromo-2-chlorophenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43625398
N-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine
CID 43489055
N-[(3,5-dibromophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 107974191
N-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43491174
N-[(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methyl]ethanamine
CID 107950635
N-[1,3-benzodioxol-5-yl-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492997
N-[(3-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methyl]ethanamine
CID 104851377
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine
CID 43489085
N-[(5-bromo-3-methyltriazol-4-yl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 106465075
N-[(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 115807598

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromophenyl)-(2,5-dichlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dibromophenyl)-(2,5-dichlorophenyl)methyl]ethanamine (CID 107974842) is N-[(3,5-dibromophenyl)-(2,5-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dibromophenyl)-(2,5-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dibromophenyl)-(2,5-dichlorophenyl)methyl]ethanamine is CCNC(c1cc(Br)cc(Br)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(3,5-dibromophenyl)-(2,5-dichlorophenyl)methyl]ethanamine?
The InChIKey is IJIRVEQYCSWOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2Cl2N/c1-2-20-15(9-5-10(16)7-11(17)6-9)13-8-12(18)3-4-14(13)19/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[(3,5-dibromophenyl)-(2,5-dichlorophenyl)methyl]ethanamine?
N-[(3,5-dibromophenyl)-(2,5-dichlorophenyl)methyl]ethanamine has a molecular weight of 437.99 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromophenyl)-(2,5-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 107974842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).