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

C15H13BrCl3N — CID 115851389

IUPACN-[(5-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)ccc1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H13BrCl3N/c1-2-20-15(10-4-3-5-13(18)14(10)19)11-8-9(16)6-7-12(11)17/h3-8,15,20H,2H2,1H3
InChIKeyHMVCRTZQGASBAK-UHFFFAOYSA-N
MW393.54 g/mol
LogP6.11
Rot. Bonds4

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

N-[(5-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine (PubChem CID 115851389) has the molecular formula C15H13BrCl3N and a molecular weight of 393.54 g/mol. Its IUPAC name is N-[(5-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
PubChem CID115851389
Molecular FormulaC15H13BrCl3N
Molecular Weight393.54 g/mol
Exact Mass390.93
IUPAC NameN-[(5-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)ccc1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H13BrCl3N/c1-2-20-15(10-4-3-5-13(18)14(10)19)11-8-9(16)6-7-12(11)17/h3-8,15,20H,2H2,1H3
InChIKeyHMVCRTZQGASBAK-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-[(4-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851142
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
N-[(3-bromophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 63413138
N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492925
N-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine
CID 43489055
N-[(5-bromo-2-chlorophenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43625398
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-chloro-3-fluorophenyl)-(2-chlorophenyl)methyl]ethanamine
CID 115801146
N-[(2,3-dichlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43490022
N-[(2-chloro-5-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]ethanamine
CID 107103191
N-[(3-bromo-4-methylphenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851243

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine (CID 115851389) is N-[(5-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine is CCNC(c1cc(Br)ccc1Cl)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(5-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine?
The InChIKey is HMVCRTZQGASBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl3N/c1-2-20-15(10-4-3-5-13(18)14(10)19)11-8-9(16)6-7-12(11)17/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[(5-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine?
N-[(5-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-[(5-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 115851389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).