1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methylbutan-1-amine

C13H19BrFN — CID 114887240

IUPAC1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methylbutan-1-amine
SMILESCCNC(c1c(F)cccc1Br)C(C)CC
InChIInChI=1S/C13H19BrFN/c1-4-9(3)13(16-5-2)12-10(14)7-6-8-11(12)15/h6-9,13,16H,4-5H2,1-3H3
InChIKeyMRJMCXRVXQXUGS-UHFFFAOYSA-N
MW288.20 g/mol
LogP4.28
Rot. Bonds5

About 1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methylbutan-1-amine

1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methylbutan-1-amine (PubChem CID 114887240) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methylbutan-1-amine
PubChem CID114887240
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC Name1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methylbutan-1-amine
SMILESCCNC(c1c(F)cccc1Br)C(C)CC
InChIInChI=1S/C13H19BrFN/c1-4-9(3)13(16-5-2)12-10(14)7-6-8-11(12)15/h6-9,13,16H,4-5H2,1-3H3
InChIKeyMRJMCXRVXQXUGS-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 105017616
1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methoxyethanamine
CID 114887178
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 105017361
1-(2-bromophenyl)-N-ethyl-2-methylbutan-1-amine
CID 79445957
N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
CID 114887292
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106646204
1-(2-chloro-6-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 105017578
1-(2-bromo-6-fluorophenyl)-N-ethylbut-3-yn-1-amine
CID 114887283
N-[(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 114558922
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
N-[(2-bromo-6-fluorophenyl)-cyclobutylmethyl]ethanamine
CID 114887135
1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-ethylethanamine
CID 43286542

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methylbutan-1-amine?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methylbutan-1-amine (CID 114887240) is 1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methylbutan-1-amine.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methylbutan-1-amine?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methylbutan-1-amine is CCNC(c1c(F)cccc1Br)C(C)CC.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methylbutan-1-amine?
The InChIKey is MRJMCXRVXQXUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-4-9(3)13(16-5-2)12-10(14)7-6-8-11(12)15/h6-9,13,16H,4-5H2,1-3H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methylbutan-1-amine?
1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methylbutan-1-amine has a molecular weight of 288.20 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methylbutan-1-amine is sourced from PubChem (CID 114887240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).