3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(3-fluoro-2-methylphenyl)propanamide

C21H26FN3O — CID 120759781

IUPAC3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(3-fluoro-2-methylphenyl)propanamide
SMILESCc1c(F)cccc1NC(=O)CCN1C[C@@H](CN)[C@H](c2ccccc2)C1
InChIInChI=1S/C21H26FN3O/c1-15-19(22)8-5-9-20(15)24-21(26)10-11-25-13-17(12-23)18(14-25)16-6-3-2-4-7-16/h2-9,17-18H,10-14,23H2,1H3,(H,24,26)/t17-,18+/m1/s1
InChIKeyGJVHISGCLRQBBM-MSOLQXFVSA-N
MW355.46 g/mol
LogP3.14
Rot. Bonds6

About 3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(3-fluoro-2-methylphenyl)propanamide

3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(3-fluoro-2-methylphenyl)propanamide (PubChem CID 120759781) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(3-fluoro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(3-fluoro-2-methylphenyl)propanamide
PubChem CID120759781
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(3-fluoro-2-methylphenyl)propanamide
SMILESCc1c(F)cccc1NC(=O)CCN1C[C@@H](CN)[C@H](c2ccccc2)C1
InChIInChI=1S/C21H26FN3O/c1-15-19(22)8-5-9-20(15)24-21(26)10-11-25-13-17(12-23)18(14-25)16-6-3-2-4-7-16/h2-9,17-18H,10-14,23H2,1H3,(H,24,26)/t17-,18+/m1/s1
InChIKeyGJVHISGCLRQBBM-MSOLQXFVSA-N
XLogP3.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-fluorophenyl)propanamide
CID 120759607
3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(4-chlorophenyl)propanamide
CID 120758748
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 120760035
N-(3-fluoro-2-methylphenyl)-3-[3-(methylamino)piperidin-1-yl]propanamide
CID 119920472
3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide;hydrochloride
CID 120758538
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-[2-(2,6-difluorophenyl)ethyl]acetamide
CID 120760081
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride
CID 120759742
N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide
CID 63282550
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 120758870
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 120759230
3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-fluorophenyl)propanamide
CID 740148
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide;hydrochloride
CID 120758869

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(3-fluoro-2-methylphenyl)propanamide?
The IUPAC name of 3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(3-fluoro-2-methylphenyl)propanamide (CID 120759781) is 3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(3-fluoro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(3-fluoro-2-methylphenyl)propanamide?
The canonical SMILES for 3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(3-fluoro-2-methylphenyl)propanamide is Cc1c(F)cccc1NC(=O)CCN1C[C@@H](CN)[C@H](c2ccccc2)C1.
What is the InChIKey of 3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(3-fluoro-2-methylphenyl)propanamide?
The InChIKey is GJVHISGCLRQBBM-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-15-19(22)8-5-9-20(15)24-21(26)10-11-25-13-17(12-23)18(14-25)16-6-3-2-4-7-16/h2-9,17-18H,10-14,23H2,1H3,(H,24,26)/t17-,18+/m1/s1.
What are the key properties of 3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(3-fluoro-2-methylphenyl)propanamide?
3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(3-fluoro-2-methylphenyl)propanamide has a molecular weight of 355.46 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(3-fluoro-2-methylphenyl)propanamide is sourced from PubChem (CID 120759781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).