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

C14H22N2O — CID 86283678

IUPAC(3R,4S)-1-(3-methoxypropyl)-4-phenylpyrrolidin-3-amine
SMILESCOCCCN1C[C@H](c2ccccc2)[C@@H](N)C1
InChIInChI=1S/C14H22N2O/c1-17-9-5-8-16-10-13(14(15)11-16)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11,15H2,1H3/t13-,14+/m1/s1
InChIKeyZRAOYHYZEUVYES-KGLIPLIRSA-N
MW234.34 g/mol
LogP1.45
Rot. Bonds5

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

(3R,4S)-1-(3-methoxypropyl)-4-phenylpyrrolidin-3-amine (PubChem CID 86283678) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (3R,4S)-1-(3-methoxypropyl)-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-1-(3-methoxypropyl)-4-phenylpyrrolidin-3-amine
PubChem CID86283678
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(3R,4S)-1-(3-methoxypropyl)-4-phenylpyrrolidin-3-amine
SMILESCOCCCN1C[C@H](c2ccccc2)[C@@H](N)C1
InChIInChI=1S/C14H22N2O/c1-17-9-5-8-16-10-13(14(15)11-16)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11,15H2,1H3/t13-,14+/m1/s1
InChIKeyZRAOYHYZEUVYES-KGLIPLIRSA-N
XLogP1.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine
CID 89188602
(3R,4R)-1-(2-methoxyethyl)-3,4-diphenylpyrrolidine
CID 101077579
(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine
CID 122424567
(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 122424566
(3S,4R)-1-[2-(2-ethoxyphenoxy)ethyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120760721
(3S,4R)-1-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine
CID 120770232
1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine
CID 89188709
(3S,4R)-1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine
CID 89188707
methyl 4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2,2-dimethylbutanoate
CID 120846805
(3S,4R)-1-[[3-(2-methoxyethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770211
(3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770365
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-(3-methoxypropyl)-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-1-(3-methoxypropyl)-4-phenylpyrrolidin-3-amine (CID 86283678) is (3R,4S)-1-(3-methoxypropyl)-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-1-(3-methoxypropyl)-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-1-(3-methoxypropyl)-4-phenylpyrrolidin-3-amine is COCCCN1C[C@H](c2ccccc2)[C@@H](N)C1.
What is the InChIKey of (3R,4S)-1-(3-methoxypropyl)-4-phenylpyrrolidin-3-amine?
The InChIKey is ZRAOYHYZEUVYES-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H22N2O/c1-17-9-5-8-16-10-13(14(15)11-16)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11,15H2,1H3/t13-,14+/m1/s1.
What are the key properties of (3R,4S)-1-(3-methoxypropyl)-4-phenylpyrrolidin-3-amine?
(3R,4S)-1-(3-methoxypropyl)-4-phenylpyrrolidin-3-amine has a molecular weight of 234.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(3-methoxypropyl)-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 86283678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).