2-(2-bromo-5-fluorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine

C14H19BrFN — CID 107004316

IUPAC2-(2-bromo-5-fluorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1Br)C1CC1(C)C
InChIInChI=1S/C14H19BrFN/c1-14(2)8-11(14)13(17-3)7-9-6-10(16)4-5-12(9)15/h4-6,11,13,17H,7-8H2,1-3H3
InChIKeyPIHMZMFBSKKLBC-UHFFFAOYSA-N
MW300.21 g/mol
LogP3.76
Rot. Bonds4

About 2-(2-bromo-5-fluorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine

2-(2-bromo-5-fluorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine (PubChem CID 107004316) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
PubChem CID107004316
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1Br)C1CC1(C)C
InChIInChI=1S/C14H19BrFN/c1-14(2)8-11(14)13(17-3)7-9-6-10(16)4-5-12(9)15/h4-6,11,13,17H,7-8H2,1-3H3
InChIKeyPIHMZMFBSKKLBC-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
CID 65398871
[2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine
CID 107005620
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 115843879
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 115843648
2-(2-bromo-5-fluorophenyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylethanamine
CID 79974245
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 63415205
2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
CID 107004984
1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine
CID 62599843
1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
CID 103168480
1-(7-bicyclo[4.1.0]heptanyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115843516
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(thian-2-yl)ethanamine
CID 80627803
1-(2-bromo-5-fluorophenyl)-N,5-dimethylhexan-2-amine
CID 62603162

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine (CID 107004316) is 2-(2-bromo-5-fluorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine is CNC(Cc1cc(F)ccc1Br)C1CC1(C)C.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine?
The InChIKey is PIHMZMFBSKKLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-14(2)8-11(14)13(17-3)7-9-6-10(16)4-5-12(9)15/h4-6,11,13,17H,7-8H2,1-3H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine?
2-(2-bromo-5-fluorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine has a molecular weight of 300.21 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine is sourced from PubChem (CID 107004316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).