2-N-[2-(5-bromo-2-fluorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine

C14H22BrFN2 — CID 115133025

IUPAC2-N-[2-(5-bromo-2-fluorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNCC(C)(C)N(C)CCc1cc(Br)ccc1F
InChIInChI=1S/C14H22BrFN2/c1-14(2,10-17-3)18(4)8-7-11-9-12(15)5-6-13(11)16/h5-6,9,17H,7-8,10H2,1-4H3
InChIKeyDYDJUXCXYZNDMQ-UHFFFAOYSA-N
MW317.25 g/mol
LogP3.06
Rot. Bonds6

About 2-N-[2-(5-bromo-2-fluorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine

2-N-[2-(5-bromo-2-fluorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 115133025) has the molecular formula C14H22BrFN2 and a molecular weight of 317.25 g/mol. Its IUPAC name is 2-N-[2-(5-bromo-2-fluorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(5-bromo-2-fluorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID115133025
Molecular FormulaC14H22BrFN2
Molecular Weight317.25 g/mol
Exact Mass316.10
IUPAC Name2-N-[2-(5-bromo-2-fluorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNCC(C)(C)N(C)CCc1cc(Br)ccc1F
InChIInChI=1S/C14H22BrFN2/c1-14(2,10-17-3)18(4)8-7-11-9-12(15)5-6-13(11)16/h5-6,9,17H,7-8,10H2,1-4H3
InChIKeyDYDJUXCXYZNDMQ-UHFFFAOYSA-N
XLogP3.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-[2-(5-bromo-2-fluorophenyl)ethyl]-3-N,3-dimethylbutane-1,3-diamine
CID 115135034
3-[2-(5-bromo-2-fluorophenyl)ethyl-methylamino]-3-methylbutanoic acid
CID 117042482
2-N-(5-bromo-2-fluorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115132613
N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202214
2-(5-bromo-2-fluorophenyl)-N-ethyl-N-methylethanamine
CID 115259643
N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 115255197
2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 62726256
2-N-[2-(2,5-dimethylphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115132993
3-[2-(5-bromo-2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115135545
N'-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374438
3-[2-(5-bromo-2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 115005644
N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylacetamide
CID 115191354

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(5-bromo-2-fluorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[2-(5-bromo-2-fluorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine (CID 115133025) is 2-N-[2-(5-bromo-2-fluorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(5-bromo-2-fluorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[2-(5-bromo-2-fluorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine is CNCC(C)(C)N(C)CCc1cc(Br)ccc1F.
What is the InChIKey of 2-N-[2-(5-bromo-2-fluorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is DYDJUXCXYZNDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrFN2/c1-14(2,10-17-3)18(4)8-7-11-9-12(15)5-6-13(11)16/h5-6,9,17H,7-8,10H2,1-4H3.
What are the key properties of 2-N-[2-(5-bromo-2-fluorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
2-N-[2-(5-bromo-2-fluorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 317.25 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(5-bromo-2-fluorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 115133025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).