(3S,4R)-1-[(5-fluoroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-amine

C20H20FN3 — CID 120769922

IUPAC(3S,4R)-1-[(5-fluoroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-amine
SMILESN[C@@H]1CN(Cc2ccc(F)c3cccnc23)C[C@H]1c1ccccc1
InChIInChI=1S/C20H20FN3/c21-18-9-8-15(20-16(18)7-4-10-23-20)11-24-12-17(19(22)13-24)14-5-2-1-3-6-14/h1-10,17,19H,11-13,22H2/t17-,19+/m0/s1
InChIKeyPLIONDFUNPQIDC-PKOBYXMFSA-N
MW321.40 g/mol
LogP3.30
Rot. Bonds3

About (3S,4R)-1-[(5-fluoroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-amine

(3S,4R)-1-[(5-fluoroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-amine (PubChem CID 120769922) has the molecular formula C20H20FN3 and a molecular weight of 321.40 g/mol. Its IUPAC name is (3S,4R)-1-[(5-fluoroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-[(5-fluoroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-amine
PubChem CID120769922
Molecular FormulaC20H20FN3
Molecular Weight321.40 g/mol
Exact Mass321.16
IUPAC Name(3S,4R)-1-[(5-fluoroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-amine
SMILESN[C@@H]1CN(Cc2ccc(F)c3cccnc23)C[C@H]1c1ccccc1
InChIInChI=1S/C20H20FN3/c21-18-9-8-15(20-16(18)7-4-10-23-20)11-24-12-17(19(22)13-24)14-5-2-1-3-6-14/h1-10,17,19H,11-13,22H2/t17-,19+/m0/s1
InChIKeyPLIONDFUNPQIDC-PKOBYXMFSA-N
XLogP3.30
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-1-[(5-chloro-2-fluorophenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770008
4-[(5-fluoroquinolin-8-yl)methyl]-2-methylmorpholine
CID 42957454
1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine
CID 81493159
(3S,4R)-1-[(2-bromo-4-fluorophenyl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120761348
2-[(5-fluoroquinolin-8-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49234559
5-fluoro-8-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]quinoline
CID 37385220
(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine
CID 122424567
(3S,4R)-1-[(2,4-dimethylphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770244
(3S,4R)-1-[(3-fluoro-4-methylphenyl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770001
1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 63249000
(3S,4R)-1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120760275
(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 122424566

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(5-fluoroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-[(5-fluoroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-amine (CID 120769922) is (3S,4R)-1-[(5-fluoroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-[(5-fluoroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-[(5-fluoroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-amine is N[C@@H]1CN(Cc2ccc(F)c3cccnc23)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-1-[(5-fluoroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-amine?
The InChIKey is PLIONDFUNPQIDC-PKOBYXMFSA-N. The full InChI is InChI=1S/C20H20FN3/c21-18-9-8-15(20-16(18)7-4-10-23-20)11-24-12-17(19(22)13-24)14-5-2-1-3-6-14/h1-10,17,19H,11-13,22H2/t17-,19+/m0/s1.
What are the key properties of (3S,4R)-1-[(5-fluoroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-amine?
(3S,4R)-1-[(5-fluoroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-amine has a molecular weight of 321.40 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(5-fluoroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 120769922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).