(3S,4R)-1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine

C14H22N2O — CID 89188707

IUPAC(3S,4R)-1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine
SMILESCO[C@@H](C)CN1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C14H22N2O/c1-11(17-2)8-16-9-13(14(15)10-16)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10,15H2,1-2H3/t11-,13-,14+/m0/s1
InChIKeyOGVVGHAMCZYXIN-FPMFFAJLSA-N
MW234.34 g/mol
LogP1.45
Rot. Bonds4

About (3S,4R)-1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine

(3S,4R)-1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine (PubChem CID 89188707) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (3S,4R)-1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine
PubChem CID89188707
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(3S,4R)-1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine
SMILESCO[C@@H](C)CN1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C14H22N2O/c1-11(17-2)8-16-9-13(14(15)10-16)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10,15H2,1-2H3/t11-,13-,14+/m0/s1
InChIKeyOGVVGHAMCZYXIN-FPMFFAJLSA-N
XLogP1.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine
CID 89188709
(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine
CID 89188602
(3R,4S)-1-(3-methoxypropyl)-4-phenylpyrrolidin-3-amine
CID 86283678
tert-butyl N-[(3S,4R)-1-(2-methoxypropyl)-4-phenylpyrrolidin-3-yl]carbamate
CID 175109136
(3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770365
(3S,4R)-1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120769959
(3S,4R)-4-phenyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidin-3-amine;hydrochloride
CID 120760546
(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine
CID 122424567
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-methylpropan-2-ol
CID 120761553
(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 122424566
2-(3-amino-4-phenylpyrrolidin-1-yl)acetonitrile
CID 118128434
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide;hydrochloride
CID 120760966

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine (CID 89188707) is (3S,4R)-1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine is CO[C@@H](C)CN1C[C@@H](N)[C@H](c2ccccc2)C1.
What is the InChIKey of (3S,4R)-1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine?
The InChIKey is OGVVGHAMCZYXIN-FPMFFAJLSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(17-2)8-16-9-13(14(15)10-16)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10,15H2,1-2H3/t11-,13-,14+/m0/s1.
What are the key properties of (3S,4R)-1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine?
(3S,4R)-1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine has a molecular weight of 234.34 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 89188707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).