1-(2-adamantyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine

C18H23BrFN — CID 106648142

IUPAC1-(2-adamantyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Br)c1F)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H23BrFN/c1-21-18(14-3-2-4-15(19)17(14)20)16-12-6-10-5-11(8-12)9-13(16)7-10/h2-4,10-13,16,18,21H,5-9H2,1H3
InChIKeyYAXYPTIIDBVXDC-UHFFFAOYSA-N
MW352.29 g/mol
LogP4.92
Rot. Bonds3

About 1-(2-adamantyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine

1-(2-adamantyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine (PubChem CID 106648142) has the molecular formula C18H23BrFN and a molecular weight of 352.29 g/mol. Its IUPAC name is 1-(2-adamantyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-adamantyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
PubChem CID106648142
Molecular FormulaC18H23BrFN
Molecular Weight352.29 g/mol
Exact Mass351.10
IUPAC Name1-(2-adamantyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Br)c1F)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H23BrFN/c1-21-18(14-3-2-4-15(19)17(14)20)16-12-6-10-5-11(8-12)9-13(16)7-10/h2-4,10-13,16,18,21H,5-9H2,1H3
InChIKeyYAXYPTIIDBVXDC-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 106645999
[(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 106649075
(2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol
CID 131031091
1-(3-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 106645880
N-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]ethanamine
CID 106645693
1-(3-bromo-2-fluorophenyl)-2-cycloheptyl-N-methylethanamine
CID 106647929
1-(3-bromo-2-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830781
N-[1-(3-bromo-2-fluorophenyl)ethyl]cyclopropanamine
CID 169245628
1-(2-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81095858
2-(1-adamantyl)-1-(3-bromo-2-fluorophenyl)ethanol
CID 106648407
1-(3,4-dimethylcyclohexyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 104989351
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
CID 107953930

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-adamantyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine (CID 106648142) is 1-(2-adamantyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-adamantyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-adamantyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine is CNC(c1cccc(Br)c1F)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine?
The InChIKey is YAXYPTIIDBVXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrFN/c1-21-18(14-3-2-4-15(19)17(14)20)16-12-6-10-5-11(8-12)9-13(16)7-10/h2-4,10-13,16,18,21H,5-9H2,1H3.
What are the key properties of 1-(2-adamantyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine?
1-(2-adamantyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine has a molecular weight of 352.29 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 106648142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).