N-[(4-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine

C15H13BrCl3N — CID 115851142

IUPACN-[(4-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H13BrCl3N/c1-2-20-15(10-7-6-9(16)8-13(10)18)11-4-3-5-12(17)14(11)19/h3-8,15,20H,2H2,1H3
InChIKeyQMQYJYAJLQRUFK-UHFFFAOYSA-N
MW393.54 g/mol
LogP6.11
Rot. Bonds4

About N-[(4-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine

N-[(4-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine (PubChem CID 115851142) has the molecular formula C15H13BrCl3N and a molecular weight of 393.54 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
PubChem CID115851142
Molecular FormulaC15H13BrCl3N
Molecular Weight393.54 g/mol
Exact Mass390.93
IUPAC NameN-[(4-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H13BrCl3N/c1-2-20-15(10-7-6-9(16)8-13(10)18)11-4-3-5-12(17)14(11)19/h3-8,15,20H,2H2,1H3
InChIKeyQMQYJYAJLQRUFK-UHFFFAOYSA-N
XLogP6.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.54
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851389
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
N-[(3-bromophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 63413138
N-[(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]ethanamine
CID 43805280
N-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43805274
N-[(2,3-dichlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43490022
N-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851170
N-[(3-chloro-2-fluorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 64712464
N-[(2,4-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 107950513
N-[(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methyl]ethanamine
CID 115801146
N-[(2,5-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 43489635
N-[(3-bromo-4-methylphenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851243

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine (CID 115851142) is N-[(4-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine is CCNC(c1ccc(Br)cc1Cl)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine?
The InChIKey is QMQYJYAJLQRUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl3N/c1-2-20-15(10-7-6-9(16)8-13(10)18)11-4-3-5-12(17)14(11)19/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[(4-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine?
N-[(4-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine has a molecular weight of 393.54 g/mol, XLogP of 6.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 115851142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).