2-(3,5-difluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine

C14H17F2NO — CID 105406187

IUPAC2-(3,5-difluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
SMILESNC(Cc1cc(F)cc(F)c1)C1CC2CCC1O2
InChIInChI=1S/C14H17F2NO/c15-9-3-8(4-10(16)6-9)5-13(17)12-7-11-1-2-14(12)18-11/h3-4,6,11-14H,1-2,5,7,17H2
InChIKeyQHUQCCXEWJXQEL-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.40
Rot. Bonds3

About 2-(3,5-difluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine

2-(3,5-difluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine (PubChem CID 105406187) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
PubChem CID105406187
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name2-(3,5-difluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
SMILESNC(Cc1cc(F)cc(F)c1)C1CC2CCC1O2
InChIInChI=1S/C14H17F2NO/c15-9-3-8(4-10(16)6-9)5-13(17)12-7-11-1-2-14(12)18-11/h3-4,6,11-14H,1-2,5,7,17H2
InChIKeyQHUQCCXEWJXQEL-UHFFFAOYSA-N
XLogP2.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,5-difluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)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

2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 105406402
(1S)-2-(3,5-difluorophenyl)-1-[(2S)-oxiran-2-yl]ethanamine
CID 86587041
2-(3,5-difluorophenyl)-1-(2-ethylcyclohexyl)ethanamine
CID 63862912
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 79820523
N-[(5-fluoro-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
CID 114728732
[2-(2-chloro-4-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
CID 105221490
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 79705419
(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 106881549
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 107884732
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 115282910
(2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol
CID 162341885
[2-(5-bromo-3-pyridinyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
CID 105221501

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine (CID 105406187) is 2-(3,5-difluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine is NC(Cc1cc(F)cc(F)c1)C1CC2CCC1O2.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The InChIKey is QHUQCCXEWJXQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c15-9-3-8(4-10(16)6-9)5-13(17)12-7-11-1-2-14(12)18-11/h3-4,6,11-14H,1-2,5,7,17H2.
What are the key properties of 2-(3,5-difluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
2-(3,5-difluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine has a molecular weight of 253.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine is sourced from PubChem (CID 105406187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).