1-(2-adamantyl)-2-(2,6-difluorophenyl)ethanamine

C18H23F2N — CID 81099599

IUPAC1-(2-adamantyl)-2-(2,6-difluorophenyl)ethanamine
SMILESNC(Cc1c(F)cccc1F)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H23F2N/c19-15-2-1-3-16(20)14(15)9-17(21)18-12-5-10-4-11(7-12)8-13(18)6-10/h1-3,10-13,17-18H,4-9,21H2
InChIKeySOHBJUANILQGIO-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.91
Rot. Bonds3

About 1-(2-adamantyl)-2-(2,6-difluorophenyl)ethanamine

1-(2-adamantyl)-2-(2,6-difluorophenyl)ethanamine (PubChem CID 81099599) has the molecular formula C18H23F2N and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-(2-adamantyl)-2-(2,6-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-adamantyl)-2-(2,6-difluorophenyl)ethanamine
PubChem CID81099599
Molecular FormulaC18H23F2N
Molecular Weight291.38 g/mol
Exact Mass291.18
IUPAC Name1-(2-adamantyl)-2-(2,6-difluorophenyl)ethanamine
SMILESNC(Cc1c(F)cccc1F)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H23F2N/c19-15-2-1-3-16(20)14(15)9-17(21)18-12-5-10-4-11(7-12)8-13(18)6-10/h1-3,10-13,17-18H,4-9,21H2
InChIKeySOHBJUANILQGIO-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-adamantyl)-2-(2,6-difluorophenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-adamantyl)-2-(4-iodophenyl)ethanamine
CID 115864147
2-(2,6-difluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 114932592
2-(2,6-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 114825914
2-adamantyl(phenyl)methanamine
CID 81096130
2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine
CID 61078474
2-(2,6-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine
CID 114932131
2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine
CID 107001824
1-(2-adamantyl)-2-(2,6-dichlorophenyl)ethanol
CID 115782445
1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]adamantane
CID 63518312
1-cyclopropyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-amine
CID 114932668
2-(2-chloro-6-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 65412373
1-cyclopentylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine
CID 114932106

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-2-(2,6-difluorophenyl)ethanamine?
The IUPAC name of 1-(2-adamantyl)-2-(2,6-difluorophenyl)ethanamine (CID 81099599) is 1-(2-adamantyl)-2-(2,6-difluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-adamantyl)-2-(2,6-difluorophenyl)ethanamine?
The canonical SMILES for 1-(2-adamantyl)-2-(2,6-difluorophenyl)ethanamine is NC(Cc1c(F)cccc1F)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-2-(2,6-difluorophenyl)ethanamine?
The InChIKey is SOHBJUANILQGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N/c19-15-2-1-3-16(20)14(15)9-17(21)18-12-5-10-4-11(7-12)8-13(18)6-10/h1-3,10-13,17-18H,4-9,21H2.
What are the key properties of 1-(2-adamantyl)-2-(2,6-difluorophenyl)ethanamine?
1-(2-adamantyl)-2-(2,6-difluorophenyl)ethanamine has a molecular weight of 291.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-2-(2,6-difluorophenyl)ethanamine is sourced from PubChem (CID 81099599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).