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

C17H20BrFN2 — CID 43081308

IUPACN'-[(5-bromo-2-fluorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
SMILESCN(C)C(CNCc1cc(Br)ccc1F)c1ccccc1
InChIInChI=1S/C17H20BrFN2/c1-21(2)17(13-6-4-3-5-7-13)12-20-11-14-10-15(18)8-9-16(14)19/h3-10,17,20H,11-12H2,1-2H3
InChIKeyDVLOHTOQVBTQGQ-UHFFFAOYSA-N
MW351.26 g/mol
LogP3.98
Rot. Bonds6

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

N'-[(5-bromo-2-fluorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 43081308) has the molecular formula C17H20BrFN2 and a molecular weight of 351.26 g/mol. Its IUPAC name is N'-[(5-bromo-2-fluorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-bromo-2-fluorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
PubChem CID43081308
Molecular FormulaC17H20BrFN2
Molecular Weight351.26 g/mol
Exact Mass350.08
IUPAC NameN'-[(5-bromo-2-fluorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
SMILESCN(C)C(CNCc1cc(Br)ccc1F)c1ccccc1
InChIInChI=1S/C17H20BrFN2/c1-21(2)17(13-6-4-3-5-7-13)12-20-11-14-10-15(18)8-9-16(14)19/h3-10,17,20H,11-12H2,1-2H3
InChIKeyDVLOHTOQVBTQGQ-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 53.98
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
N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine
CID 101043657
N-[(5-bromo-2-fluorophenyl)methyl]-3-chloro-2-methylpropan-1-amine
CID 65037198
N-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-1-phenylbutan-1-amine
CID 43221916
N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropyl-1-phenylmethanamine
CID 43233418
3-amino-4-[(5-bromo-2-fluorophenyl)methylamino]butanoic acid
CID 115241706
2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]aniline
CID 66418834
N-[(5-bromo-2-fluorophenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 113222725
N'-[(3-bromo-4-chlorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 83232282
N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride
CID 47023745
2-[(2,5-difluorophenyl)methylamino]-1-phenylethanol
CID 43499154
3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxypropanamide
CID 106170380

Frequently Asked Questions

What is the IUPAC name of N'-[(5-bromo-2-fluorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N'-[(5-bromo-2-fluorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine (CID 43081308) is N'-[(5-bromo-2-fluorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-[(5-bromo-2-fluorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-[(5-bromo-2-fluorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine is CN(C)C(CNCc1cc(Br)ccc1F)c1ccccc1.
What is the InChIKey of N'-[(5-bromo-2-fluorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is DVLOHTOQVBTQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN2/c1-21(2)17(13-6-4-3-5-7-13)12-20-11-14-10-15(18)8-9-16(14)19/h3-10,17,20H,11-12H2,1-2H3.
What are the key properties of N'-[(5-bromo-2-fluorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine?
N'-[(5-bromo-2-fluorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 351.26 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-bromo-2-fluorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 43081308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).