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

C15H13Br2Cl2N — CID 43489635

IUPACN-[(2,5-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1Cl)c1cc(Br)ccc1Br
InChIInChI=1S/C15H13Br2Cl2N/c1-2-20-15(11-5-4-10(18)8-14(11)19)12-7-9(16)3-6-13(12)17/h3-8,15,20H,2H2,1H3
InChIKeySRMNCTLUGQHUTK-UHFFFAOYSA-N
MW437.99 g/mol
LogP6.22
Rot. Bonds4

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

N-[(2,5-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine (PubChem CID 43489635) has the molecular formula C15H13Br2Cl2N and a molecular weight of 437.99 g/mol. Its IUPAC name is N-[(2,5-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
PubChem CID43489635
Molecular FormulaC15H13Br2Cl2N
Molecular Weight437.99 g/mol
Exact Mass434.88
IUPAC NameN-[(2,5-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1Cl)c1cc(Br)ccc1Br
InChIInChI=1S/C15H13Br2Cl2N/c1-2-20-15(11-5-4-10(18)8-14(11)19)12-7-9(16)3-6-13(12)17/h3-8,15,20H,2H2,1H3
InChIKeySRMNCTLUGQHUTK-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-[(2,5-dibromophenyl)-(2,4-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-[(2,4-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 107950513
N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492925
N-[(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 106763062
N-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine
CID 79747518
N-[(3-bromo-2-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 106647833
N-[(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]ethanamine
CID 43805280
N-[(2-bromo-5-fluorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 105022583
N-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43489703
N-[(5-bromo-2-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methyl]ethanamine
CID 81049108
N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43805282
N-[(4-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851142
N-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43805274

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine (CID 43489635) is N-[(2,5-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine is CCNC(c1ccc(Cl)cc1Cl)c1cc(Br)ccc1Br.
What is the InChIKey of N-[(2,5-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine?
The InChIKey is SRMNCTLUGQHUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2Cl2N/c1-2-20-15(11-5-4-10(18)8-14(11)19)12-7-9(16)3-6-13(12)17/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[(2,5-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine?
N-[(2,5-dibromophenyl)-(2,4-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-[(2,5-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 43489635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).