1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine

C17H20BrFN2 — CID 62980719

IUPAC1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
SMILESCC(c1ccccc1F)N(C)C(CN)c1ccccc1Br
InChIInChI=1S/C17H20BrFN2/c1-12(13-7-4-6-10-16(13)19)21(2)17(11-20)14-8-3-5-9-15(14)18/h3-10,12,17H,11,20H2,1-2H3
InChIKeyFTWIFPIIZBAKRG-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.28
Rot. Bonds5

About 1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine

1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine (PubChem CID 62980719) has the molecular formula C17H20BrFN2 and a molecular weight of 351.26 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
PubChem CID62980719
Molecular FormulaC17H20BrFN2
Molecular Weight351.26 g/mol
Exact Mass350.08
IUPAC Name1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
SMILESCC(c1ccccc1F)N(C)C(CN)c1ccccc1Br
InChIInChI=1S/C17H20BrFN2/c1-12(13-7-4-6-10-16(13)19)21(2)17(11-20)14-8-3-5-9-15(14)18/h3-10,12,17H,11,20H2,1-2H3
InChIKeyFTWIFPIIZBAKRG-UHFFFAOYSA-N
XLogP4.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 62978774
1-(5-bromothiophen-2-yl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 62980007
2-N-[1-(2-fluorophenyl)ethyl]-2-N,4,4-trimethylpentane-1,2-diamine
CID 62978792
1-(2-bromophenyl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905528
N'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693386
N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine
CID 62985248
N-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine
CID 24694407
3-bromo-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
CID 62980354
4-amino-3-[1-(2-fluorophenyl)ethyl-methylamino]-N,N-dimethylbutanamide
CID 66431255
3-amino-2-[1-(2-fluorophenyl)ethyl-methylamino]pentan-1-ol
CID 104840425
1-(2-bromophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913535
4-(aminomethyl)-3-bromo-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline
CID 107532357

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine?
The IUPAC name of 1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine (CID 62980719) is 1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine is CC(c1ccccc1F)N(C)C(CN)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine?
The InChIKey is FTWIFPIIZBAKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN2/c1-12(13-7-4-6-10-16(13)19)21(2)17(11-20)14-8-3-5-9-15(14)18/h3-10,12,17H,11,20H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine?
1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine has a molecular weight of 351.26 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 62980719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).