(3S,4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-amine

C11H15FN2 — CID 96623121

IUPAC(3S,4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-amine
SMILESCN1C[C@@H](N)[C@H](c2cccc(F)c2)C1
InChIInChI=1S/C11H15FN2/c1-14-6-10(11(13)7-14)8-3-2-4-9(12)5-8/h2-5,10-11H,6-7,13H2,1H3/t10-,11+/m0/s1
InChIKeyZHLDVCKYPVWQCG-WDEREUQCSA-N
MW194.25 g/mol
LogP1.18
Rot. Bonds1

About (3S,4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-amine

(3S,4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-amine (PubChem CID 96623121) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is (3S,4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-amine
PubChem CID96623121
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name(3S,4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-amine
SMILESCN1C[C@@H](N)[C@H](c2cccc(F)c2)C1
InChIInChI=1S/C11H15FN2/c1-14-6-10(11(13)7-14)8-3-2-4-9(12)5-8/h2-5,10-11H,6-7,13H2,1H3/t10-,11+/m0/s1
InChIKeyZHLDVCKYPVWQCG-WDEREUQCSA-N
XLogP1.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-4-(3-ethoxyphenyl)-1-methylpyrrolidin-3-amine
CID 99986785
methyl 4-(3-fluorophenyl)-1-methylpyrrolidine-3-carboxylate
CID 102568183
(3R,4S)-4-(3-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride
CID 118128580
2-(3-fluorophenyl)cyclobutan-1-amine
CID 81014796
4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine
CID 82391825
(3S,4R)-4-(4-bromophenyl)-1-methylpyrrolidin-3-amine
CID 69346862
(3R,4R)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-amine
CID 124669561
1-[(3S,4R)-3-amino-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-(dimethylamino)-2-phenylethanone
CID 146092639
5-(3-fluorophenyl)-N,1-dimethylpiperidin-3-amine
CID 83989552
[3-(3-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine
CID 105462009
[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methanamine;hydrochloride
CID 68924561
4-(3-fluorophenyl)oxan-3-amine
CID 84773511

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-amine (CID 96623121) is (3S,4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-amine is CN1C[C@@H](N)[C@H](c2cccc(F)c2)C1.
What is the InChIKey of (3S,4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-amine?
The InChIKey is ZHLDVCKYPVWQCG-WDEREUQCSA-N. The full InChI is InChI=1S/C11H15FN2/c1-14-6-10(11(13)7-14)8-3-2-4-9(12)5-8/h2-5,10-11H,6-7,13H2,1H3/t10-,11+/m0/s1.
What are the key properties of (3S,4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-amine?
(3S,4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-amine has a molecular weight of 194.25 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 96623121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).