2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine

C14H19BrFNO — CID 115843648

IUPAC2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
SMILESCNC(Cc1cc(F)ccc1Br)C1OCCC1C
InChIInChI=1S/C14H19BrFNO/c1-9-5-6-18-14(9)13(17-2)8-10-7-11(16)3-4-12(10)15/h3-4,7,9,13-14,17H,5-6,8H2,1-2H3
InChIKeyZEJGKPCYWOZVSG-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.14
Rot. Bonds4

About 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine

2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine (PubChem CID 115843648) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
PubChem CID115843648
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
SMILESCNC(Cc1cc(F)ccc1Br)C1OCCC1C
InChIInChI=1S/C14H19BrFNO/c1-9-5-6-18-14(9)13(17-2)8-10-7-11(16)3-4-12(10)15/h3-4,7,9,13-14,17H,5-6,8H2,1-2H3
InChIKeyZEJGKPCYWOZVSG-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 115795640
2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
CID 65398871
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 63415205
2-(2-bromo-5-fluorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
CID 107004316
N-[2-(2,4-difluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115824180
1-(2-bromo-5-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 115843578
2-(furan-2-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105029302
N-ethyl-2-(4-fluorophenyl)-1-(3-methyloxolan-2-yl)ethanamine
CID 115786402
1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
CID 103168480
2-(2-bromo-5-fluorophenyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylethanamine
CID 79974245
N-[2-(2-bromo-5-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 65419774
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine
CID 105050938

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine (CID 115843648) is 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine is CNC(Cc1cc(F)ccc1Br)C1OCCC1C.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine?
The InChIKey is ZEJGKPCYWOZVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-9-5-6-18-14(9)13(17-2)8-10-7-11(16)3-4-12(10)15/h3-4,7,9,13-14,17H,5-6,8H2,1-2H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine?
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine has a molecular weight of 316.21 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 115843648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).