(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride

C12H18ClFN2 — CID 122424566

IUPAC(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@H]1CN(CCF)C[C@@H]1c1ccccc1
InChIInChI=1S/C12H17FN2.ClH/c13-6-7-15-8-11(12(14)9-15)10-4-2-1-3-5-10;/h1-5,11-12H,6-9,14H2;1H/t11-,12+;/m1./s1
InChIKeyJHRNMBNZYXEQNH-LYCTWNKOSA-N
MW244.74 g/mol
LogP1.80
Rot. Bonds3

About (3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride

(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride (PubChem CID 122424566) has the molecular formula C12H18ClFN2 and a molecular weight of 244.74 g/mol. Its IUPAC name is (3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride
PubChem CID122424566
Molecular FormulaC12H18ClFN2
Molecular Weight244.74 g/mol
Exact Mass244.11
IUPAC Name(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@H]1CN(CCF)C[C@@H]1c1ccccc1
InChIInChI=1S/C12H17FN2.ClH/c13-6-7-15-8-11(12(14)9-15)10-4-2-1-3-5-10;/h1-5,11-12H,6-9,14H2;1H/t11-,12+;/m1./s1
InChIKeyJHRNMBNZYXEQNH-LYCTWNKOSA-N
XLogP1.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine
CID 122424567
(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine
CID 89188602
(3S,4R)-1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120769959
(3R,4S)-1-(1,3-difluoropropan-2-yl)-4-phenylpyrrolidin-3-amine
CID 118128593
(3R,4S)-1-(3-methoxypropyl)-4-phenylpyrrolidin-3-amine
CID 86283678
(3S,4R)-4-phenyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidin-3-amine;hydrochloride
CID 120760546
(3S,4R)-1-[2-(2-ethoxyphenoxy)ethyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120760721
2-(3-amino-4-phenylpyrrolidin-1-yl)acetonitrile
CID 118128434
(3S,4R)-4-phenyl-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine
CID 120761845
3-(3-amino-4-phenylpyrrolidin-1-yl)-N-methylpropanamide
CID 114263409
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-methylpropan-2-ol
CID 120761553
methyl 4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2,2-dimethylbutanoate;hydrochloride
CID 120846804

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride (CID 122424566) is (3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride is Cl.N[C@H]1CN(CCF)C[C@@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride?
The InChIKey is JHRNMBNZYXEQNH-LYCTWNKOSA-N. The full InChI is InChI=1S/C12H17FN2.ClH/c13-6-7-15-8-11(12(14)9-15)10-4-2-1-3-5-10;/h1-5,11-12H,6-9,14H2;1H/t11-,12+;/m1./s1.
What are the key properties of (3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride?
(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride has a molecular weight of 244.74 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 122424566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).