1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine

C13H19BrFN — CID 62600953

IUPAC1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine
SMILESCCNC(Cc1ccc(F)cc1Br)C(C)C
InChIInChI=1S/C13H19BrFN/c1-4-16-13(9(2)3)7-10-5-6-11(15)8-12(10)14/h5-6,8-9,13,16H,4,7H2,1-3H3
InChIKeyBXYAPIMADSDAJG-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.76
Rot. Bonds5

About 1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine

1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine (PubChem CID 62600953) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine
PubChem CID62600953
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC Name1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine
SMILESCCNC(Cc1ccc(F)cc1Br)C(C)C
InChIInChI=1S/C13H19BrFN/c1-4-16-13(9(2)3)7-10-5-6-11(15)8-12(10)14/h5-6,8-9,13,16H,4,7H2,1-3H3
InChIKeyBXYAPIMADSDAJG-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-fluorophenyl)-N,3-diethylpentan-2-amine
CID 115843078
2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115843155
2-(2-bromo-4-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 63673611
[1-(2-bromo-4-fluorophenyl)-3-ethylpentan-2-yl]hydrazine
CID 105296590
2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine
CID 64986283
2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414075
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115843076
1-(2,5-difluorophenyl)-N-ethyl-3,4-dimethylpentan-2-amine
CID 115810544
1-(2-bromo-4-fluorophenyl)-N-propylbutan-2-amine
CID 62601157
2-(2-bromo-4-fluorophenyl)-1-(3-bromo-2-methylphenyl)-N-ethylethanamine
CID 115843094
2-[(2-bromo-4-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 63498524
[1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105202997

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine (CID 62600953) is 1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine is CCNC(Cc1ccc(F)cc1Br)C(C)C.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine?
The InChIKey is BXYAPIMADSDAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-4-16-13(9(2)3)7-10-5-6-11(15)8-12(10)14/h5-6,8-9,13,16H,4,7H2,1-3H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine?
1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine has a molecular weight of 288.20 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine is sourced from PubChem (CID 62600953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).