N-[(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine

C16H16Br2ClNO — CID 107998622

IUPACN-[(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Br)c1)c1cc(Br)ccc1OC
InChIInChI=1S/C16H16Br2ClNO/c1-3-20-16(10-4-6-14(19)13(18)8-10)12-9-11(17)5-7-15(12)21-2/h4-9,16,20H,3H2,1-2H3
InChIKeyIEFSZWRNVJBERT-UHFFFAOYSA-N
MW433.57 g/mol
LogP5.57
Rot. Bonds5

About N-[(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine

N-[(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine (PubChem CID 107998622) has the molecular formula C16H16Br2ClNO and a molecular weight of 433.57 g/mol. Its IUPAC name is N-[(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine
PubChem CID107998622
Molecular FormulaC16H16Br2ClNO
Molecular Weight433.57 g/mol
Exact Mass430.93
IUPAC NameN-[(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Br)c1)c1cc(Br)ccc1OC
InChIInChI=1S/C16H16Br2ClNO/c1-3-20-16(10-4-6-14(19)13(18)8-10)12-9-11(17)5-7-15(12)21-2/h4-9,16,20H,3H2,1-2H3
InChIKeyIEFSZWRNVJBERT-UHFFFAOYSA-N
XLogP5.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.57
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxyphenyl)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)-(3-bromo-4-methoxyphenyl)methyl]ethanamine
CID 43487727
N-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43487907
N-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 107998668
N-[(4-bromo-2-methoxyphenyl)-(4-chlorophenyl)methyl]ethanamine
CID 115368913
N-[(5-bromo-2-methoxyphenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 43487867
N-[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 115567471
N-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488692
N-[(5-bromo-2-chlorophenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43625398
N-[(3-bromo-4-fluorophenyl)-(4-bromo-2-methoxyphenyl)methyl]ethanamine
CID 115369013
N-[(5-bromo-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493610
N-[(2-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 107987395
N-[(2,4-dibromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 107944930

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine (CID 107998622) is N-[(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(Cl)c(Br)c1)c1cc(Br)ccc1OC.
What is the InChIKey of N-[(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine?
The InChIKey is IEFSZWRNVJBERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2ClNO/c1-3-20-16(10-4-6-14(19)13(18)8-10)12-9-11(17)5-7-15(12)21-2/h4-9,16,20H,3H2,1-2H3.
What are the key properties of N-[(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine?
N-[(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine has a molecular weight of 433.57 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 107998622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).