N'-[(3-bromo-4-chlorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine

C17H20BrClN2 — CID 83232282

IUPACN'-[(3-bromo-4-chlorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
SMILESCN(C)C(CNCc1ccc(Cl)c(Br)c1)c1ccccc1
InChIInChI=1S/C17H20BrClN2/c1-21(2)17(14-6-4-3-5-7-14)12-20-11-13-8-9-16(19)15(18)10-13/h3-10,17,20H,11-12H2,1-2H3
InChIKeyCLQDUNJFZCMPDV-UHFFFAOYSA-N
MW367.72 g/mol
LogP4.49
Rot. Bonds6

About N'-[(3-bromo-4-chlorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine

N'-[(3-bromo-4-chlorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 83232282) has the molecular formula C17H20BrClN2 and a molecular weight of 367.72 g/mol. Its IUPAC name is N'-[(3-bromo-4-chlorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-bromo-4-chlorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
PubChem CID83232282
Molecular FormulaC17H20BrClN2
Molecular Weight367.72 g/mol
Exact Mass366.05
IUPAC NameN'-[(3-bromo-4-chlorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
SMILESCN(C)C(CNCc1ccc(Cl)c(Br)c1)c1ccccc1
InChIInChI=1S/C17H20BrClN2/c1-21(2)17(14-6-4-3-5-7-14)12-20-11-13-8-9-16(19)15(18)10-13/h3-10,17,20H,11-12H2,1-2H3
InChIKeyCLQDUNJFZCMPDV-UHFFFAOYSA-N
XLogP4.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.72
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(3-bromophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43180724
1-N-[(3-bromo-4-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 83236305
N-[(3-bromo-4-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83230110
1-N-[(4-bromo-3-chlorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 103581679
N'-[(5-bromo-2-fluorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43081308
1-(3-bromo-4-chlorophenyl)-N-methylmethanamine
CID 75355471
2-[(3,4-dibromophenyl)methylamino]-1-phenylethanol
CID 115692952
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol
CID 2978838
N-[(3-bromo-4-chlorophenyl)methyl]but-2-yn-1-amine
CID 115908797
(1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 83230349
(1S)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 83230594
N-[(3-bromo-4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 83235269

Frequently Asked Questions

What is the IUPAC name of N'-[(3-bromo-4-chlorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N'-[(3-bromo-4-chlorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine (CID 83232282) is N'-[(3-bromo-4-chlorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-bromo-4-chlorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-[(3-bromo-4-chlorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine is CN(C)C(CNCc1ccc(Cl)c(Br)c1)c1ccccc1.
What is the InChIKey of N'-[(3-bromo-4-chlorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is CLQDUNJFZCMPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrClN2/c1-21(2)17(14-6-4-3-5-7-14)12-20-11-13-8-9-16(19)15(18)10-13/h3-10,17,20H,11-12H2,1-2H3.
What are the key properties of N'-[(3-bromo-4-chlorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine?
N'-[(3-bromo-4-chlorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 367.72 g/mol, XLogP of 4.49, 6 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)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 83232282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).