1-(2-bicyclo[2.2.1]heptanyl)-N-[bis(4-fluorophenyl)methyl]ethanamine

C22H25F2N — CID 4848964

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-[bis(4-fluorophenyl)methyl]ethanamine
SMILESCC(NC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC2CCC1C2
InChIInChI=1S/C22H25F2N/c1-14(21-13-15-2-3-18(21)12-15)25-22(16-4-8-19(23)9-5-16)17-6-10-20(24)11-7-17/h4-11,14-15,18,21-22,25H,2-3,12-13H2,1H3
InChIKeyWKCHJURXJMZKAJ-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.47
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-N-[bis(4-fluorophenyl)methyl]ethanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-[bis(4-fluorophenyl)methyl]ethanamine (PubChem CID 4848964) has the molecular formula C22H25F2N and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-[bis(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-[bis(4-fluorophenyl)methyl]ethanamine
PubChem CID4848964
Molecular FormulaC22H25F2N
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-[bis(4-fluorophenyl)methyl]ethanamine
SMILESCC(NC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC2CCC1C2
InChIInChI=1S/C22H25F2N/c1-14(21-13-15-2-3-18(21)12-15)25-22(16-4-8-19(23)9-5-16)17-6-10-20(24)11-7-17/h4-11,14-15,18,21-22,25H,2-3,12-13H2,1H3
InChIKeyWKCHJURXJMZKAJ-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[bis(4-fluorophenyl)methyl]ethanamine
CID 98305321
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(4-fluorophenyl)propan-1-amine
CID 43111446
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714622
(2R)-2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 98430928
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871004
N-[1-(4-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 61309333
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43312604
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoropyrimidin-2-amine
CID 112703061
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 3878614
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514501
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine
CID 43100719
1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4-dichlorophenyl)ethyl]ethanamine
CID 43104674

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[bis(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[bis(4-fluorophenyl)methyl]ethanamine (CID 4848964) is 1-(2-bicyclo[2.2.1]heptanyl)-N-[bis(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-[bis(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-[bis(4-fluorophenyl)methyl]ethanamine is CC(NC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-[bis(4-fluorophenyl)methyl]ethanamine?
The InChIKey is WKCHJURXJMZKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N/c1-14(21-13-15-2-3-18(21)12-15)25-22(16-4-8-19(23)9-5-16)17-6-10-20(24)11-7-17/h4-11,14-15,18,21-22,25H,2-3,12-13H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-[bis(4-fluorophenyl)methyl]ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-[bis(4-fluorophenyl)methyl]ethanamine has a molecular weight of 341.45 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-[bis(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 4848964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).