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

C22H25F2N — CID 98305321

IUPAC(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[bis(4-fluorophenyl)methyl]ethanamine
SMILESC[C@@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]1C[C@H]2CC[C@H]1C2
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/t14-,15+,18+,21+/m1/s1
InChIKeyWKCHJURXJMZKAJ-DQTJMLIDSA-N
MW341.45 g/mol
LogP5.47
Rot. Bonds5

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

(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[bis(4-fluorophenyl)methyl]ethanamine (PubChem CID 98305321) has the molecular formula C22H25F2N and a molecular weight of 341.45 g/mol. Its IUPAC name is (1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[bis(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[bis(4-fluorophenyl)methyl]ethanamine
PubChem CID98305321
Molecular FormulaC22H25F2N
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[bis(4-fluorophenyl)methyl]ethanamine
SMILESC[C@@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]1C[C@H]2CC[C@H]1C2
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/t14-,15+,18+,21+/m1/s1
InChIKeyWKCHJURXJMZKAJ-DQTJMLIDSA-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

Analyze (1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[bis(4-fluorophenyl)methyl]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-bicyclo[2.2.1]heptanyl)-N-[bis(4-fluorophenyl)methyl]ethanamine
CID 4848964
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 (1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[bis(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[bis(4-fluorophenyl)methyl]ethanamine (CID 98305321) is (1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[bis(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[bis(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[bis(4-fluorophenyl)methyl]ethanamine is C[C@@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[bis(4-fluorophenyl)methyl]ethanamine?
The InChIKey is WKCHJURXJMZKAJ-DQTJMLIDSA-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/t14-,15+,18+,21+/m1/s1.
What are the key properties of (1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[bis(4-fluorophenyl)methyl]ethanamine?
(1R)-1-[(1S,2R,4S)-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 (1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[bis(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 98305321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).