1-(2-bromo-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine

C13H20BrFN2 — CID 79053380

IUPAC1-(2-bromo-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
SMILESCN(C)C(C)(C)C(N)Cc1ccc(F)cc1Br
InChIInChI=1S/C13H20BrFN2/c1-13(2,17(3)4)12(16)7-9-5-6-10(15)8-11(9)14/h5-6,8,12H,7,16H2,1-4H3
InChIKeyYSZYVIPRXZBNQS-UHFFFAOYSA-N
MW303.22 g/mol
LogP2.80
Rot. Bonds4

About 1-(2-bromo-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine

1-(2-bromo-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine (PubChem CID 79053380) has the molecular formula C13H20BrFN2 and a molecular weight of 303.22 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
PubChem CID79053380
Molecular FormulaC13H20BrFN2
Molecular Weight303.22 g/mol
Exact Mass302.08
IUPAC Name1-(2-bromo-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
SMILESCN(C)C(C)(C)C(N)Cc1ccc(F)cc1Br
InChIInChI=1S/C13H20BrFN2/c1-13(2,17(3)4)12(16)7-9-5-6-10(15)8-11(9)14/h5-6,8,12H,7,16H2,1-4H3
InChIKeyYSZYVIPRXZBNQS-UHFFFAOYSA-N
XLogP2.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105202997
1-(3-bromo-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79053276
1-(2-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79053079
1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol
CID 62605952
1,2-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294
1-(2-bromo-4-fluorophenyl)-3-(dimethylamino)-3-methylbutan-2-one
CID 79047983
2-bromo-1-[3-chloro-2-(chloromethyl)propyl]-4-fluorobenzene
CID 79447558
3-(2-bromo-4-fluorophenyl)-1,1-diethoxypropan-2-amine
CID 79496447
5-(2-bromo-4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 64716995
1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine
CID 62195909
1-[1-amino-2-(2-bromo-4-fluorophenyl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79062191
1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 63420117

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine (CID 79053380) is 1-(2-bromo-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine is CN(C)C(C)(C)C(N)Cc1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine?
The InChIKey is YSZYVIPRXZBNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrFN2/c1-13(2,17(3)4)12(16)7-9-5-6-10(15)8-11(9)14/h5-6,8,12H,7,16H2,1-4H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine?
1-(2-bromo-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine has a molecular weight of 303.22 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine is sourced from PubChem (CID 79053380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).