(3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine

C15H23NO — CID 95299881

IUPAC(3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine
SMILESCC(C)OCCN1CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C15H23NO/c1-13(2)17-11-10-16-9-8-15(12-16)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3/t15-/m1/s1
InChIKeyGDUZZXKOSFZFDZ-OAHLLOKOSA-N
MW233.36 g/mol
LogP2.90
Rot. Bonds5

About (3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine

(3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine (PubChem CID 95299881) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine
PubChem CID95299881
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine
SMILESCC(C)OCCN1CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C15H23NO/c1-13(2)17-11-10-16-9-8-15(12-16)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3/t15-/m1/s1
InChIKeyGDUZZXKOSFZFDZ-OAHLLOKOSA-N
XLogP2.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-phenylpyrrolidin-1-yl)hexan-2-ol
CID 62133412
1-(2-chloroethyl)-3-phenylpyrrolidine
CID 62133780
2-methoxy-4-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 103152450
4-phenyl-1-(3-phenylbutyl)piperidine
CID 54520789
N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95339552
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410
2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine
CID 55069157
2-methyl-3-(3-phenylpyrrolidin-1-yl)propanenitrile
CID 62131750
9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol
CID 105343948
4-ethoxy-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine
CID 62560108
6-(3-phenylpyrrolidin-1-yl)-N-propylhexan-2-amine
CID 62131389
2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 65247484

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine?
The IUPAC name of (3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine (CID 95299881) is (3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine.
What is the SMILES notation for (3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine?
The canonical SMILES for (3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine is CC(C)OCCN1CC[C@@H](c2ccccc2)C1.
What is the InChIKey of (3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine?
The InChIKey is GDUZZXKOSFZFDZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23NO/c1-13(2)17-11-10-16-9-8-15(12-16)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine?
(3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine has a molecular weight of 233.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine is sourced from PubChem (CID 95299881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).