2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-difluorophenyl)ethanamine

C15H19F2N — CID 43197828

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-difluorophenyl)ethanamine
SMILESNC(CC1CC2CCC1C2)c1cc(F)ccc1F
InChIInChI=1S/C15H19F2N/c16-12-3-4-14(17)13(8-12)15(18)7-11-6-9-1-2-10(11)5-9/h3-4,8-11,15H,1-2,5-7,18H2
InChIKeyHJWMAOPUHNPJJN-UHFFFAOYSA-N
MW251.32 g/mol
LogP3.79
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-difluorophenyl)ethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-difluorophenyl)ethanamine (PubChem CID 43197828) has the molecular formula C15H19F2N and a molecular weight of 251.32 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-difluorophenyl)ethanamine
PubChem CID43197828
Molecular FormulaC15H19F2N
Molecular Weight251.32 g/mol
Exact Mass251.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-difluorophenyl)ethanamine
SMILESNC(CC1CC2CCC1C2)c1cc(F)ccc1F
InChIInChI=1S/C15H19F2N/c16-12-3-4-14(17)13(8-12)15(18)7-11-6-9-1-2-10(11)5-9/h3-4,8-11,15H,1-2,5-7,18H2
InChIKeyHJWMAOPUHNPJJN-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dichlorophenyl)ethanamine
CID 43167287
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 79557851
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2,5-difluorophenyl)-N-methylethane-1,2-diamine
CID 63681537
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115853955
[2-(2-bicyclo[2.2.1]heptanyl)-1-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105215533
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine
CID 45281893
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789651
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoroaniline
CID 79554094
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-cyclobutylphenyl)ethanamine
CID 105052415
1-(2-bicyclo[2.2.1]heptanyl)-3-(5-bromo-2-fluorophenyl)propan-2-amine
CID 115839806
2-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 105046040
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]methanamine
CID 62733927

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-difluorophenyl)ethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-difluorophenyl)ethanamine (CID 43197828) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-difluorophenyl)ethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-difluorophenyl)ethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-difluorophenyl)ethanamine is NC(CC1CC2CCC1C2)c1cc(F)ccc1F.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-difluorophenyl)ethanamine?
The InChIKey is HJWMAOPUHNPJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N/c16-12-3-4-14(17)13(8-12)15(18)7-11-6-9-1-2-10(11)5-9/h3-4,8-11,15H,1-2,5-7,18H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-difluorophenyl)ethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-difluorophenyl)ethanamine has a molecular weight of 251.32 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-difluorophenyl)ethanamine is sourced from PubChem (CID 43197828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).