N-[(2-bromo-5-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine

C17H20BrClN2 — CID 66161042

IUPACN-[(2-bromo-5-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCN(C)CC(NCc1cc(Cl)ccc1Br)c1ccccc1
InChIInChI=1S/C17H20BrClN2/c1-21(2)12-17(13-6-4-3-5-7-13)20-11-14-10-15(19)8-9-16(14)18/h3-10,17,20H,11-12H2,1-2H3
InChIKeyUEJRCPHFCKTCHJ-UHFFFAOYSA-N
MW367.72 g/mol
LogP4.49
Rot. Bonds6

About N-[(2-bromo-5-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine

N-[(2-bromo-5-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 66161042) has the molecular formula C17H20BrClN2 and a molecular weight of 367.72 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
PubChem CID66161042
Molecular FormulaC17H20BrClN2
Molecular Weight367.72 g/mol
Exact Mass366.05
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCN(C)CC(NCc1cc(Cl)ccc1Br)c1ccccc1
InChIInChI=1S/C17H20BrClN2/c1-21(2)12-17(13-6-4-3-5-7-13)20-11-14-10-15(19)8-9-16(14)18/h3-10,17,20H,11-12H2,1-2H3
InChIKeyUEJRCPHFCKTCHJ-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

(2R)-2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylethanol
CID 103766335
N-[(2-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43181795
N-[(2-bromo-5-chlorophenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 66159883
N-[(2-chloro-4-fluorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 103605736
methyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylacetate
CID 66160749
2-[(4-chloro-2-fluorophenyl)methylamino]-2-phenylethanol
CID 114750493
2-[(2-bromophenyl)methylamino]-2-phenylethanol
CID 6613037
N-[(2-bromo-5-chlorophenyl)methyl]-2-phenylethanamine
CID 66161236
N-[(3,5-dimethoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 78824238
3-[[[2-(dimethylamino)-1-phenylethyl]amino]methyl]phenol
CID 43181834
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
N-[(2-bromo-5-chlorophenyl)methyl]-1-(4-chlorophenyl)propan-2-amine
CID 66159290

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine (CID 66161042) is N-[(2-bromo-5-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine is CN(C)CC(NCc1cc(Cl)ccc1Br)c1ccccc1.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is UEJRCPHFCKTCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrClN2/c1-21(2)12-17(13-6-4-3-5-7-13)20-11-14-10-15(19)8-9-16(14)18/h3-10,17,20H,11-12H2,1-2H3.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine?
N-[(2-bromo-5-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-[(2-bromo-5-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 66161042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).