2-(1-methoxy-2-phenylethyl)pyrrolidine

C13H19NO — CID 22456721

IUPAC2-(1-methoxy-2-phenylethyl)pyrrolidine
SMILESCOC(Cc1ccccc1)C1CCCN1
InChIInChI=1S/C13H19NO/c1-15-13(12-8-5-9-14-12)10-11-6-3-2-4-7-11/h2-4,6-7,12-14H,5,8-10H2,1H3
InChIKeyDPYYFDWOFAUVFJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.00
Rot. Bonds4

About 2-(1-methoxy-2-phenylethyl)pyrrolidine

2-(1-methoxy-2-phenylethyl)pyrrolidine (PubChem CID 22456721) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(1-methoxy-2-phenylethyl)pyrrolidine.

Molecular Properties

Compound Name2-(1-methoxy-2-phenylethyl)pyrrolidine
PubChem CID22456721
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(1-methoxy-2-phenylethyl)pyrrolidine
SMILESCOC(Cc1ccccc1)C1CCCN1
InChIInChI=1S/C13H19NO/c1-15-13(12-8-5-9-14-12)10-11-6-3-2-4-7-11/h2-4,6-7,12-14H,5,8-10H2,1H3
InChIKeyDPYYFDWOFAUVFJ-UHFFFAOYSA-N
XLogP2.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-3-phenyl-2-[(2R)-piperidin-2-yl]propanoate
CID 10490732
(1S,2S,3S)-3-amino-4-phenyl-1-[(2S)-pyrrolidin-2-yl]butane-1,2-diol
CID 58964092
methyl (2S)-2-[[(2R,3R)-2-methyl-3-pyrrolidin-2-ylbutanoyl]amino]-3-phenylpropanoate
CID 163607860
(2S)-2-[1-(4-chlorophenoxy)-3-phenylpropyl]pyrrolidine
CID 11381502
(2R)-2-[(1R)-1-phenylethyl]pyrrolidine
CID 95732426
tert-butyl (2R,5R,6R)-2-benzyl-6-methoxy-5-methyl-4-oxo-6-[(2S)-pyrrolidin-2-yl]hexanoate
CID 157260915
2-(3-methoxyphenyl)-1-pyrrolidin-2-ylethanol
CID 82080040
(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine
CID 7047899
(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine
CID 7047901
(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine
CID 7047905
benzyl 2-methyl-3-methylsulfanyl-3-[(2S)-pyrrolidin-2-yl]propanoate
CID 141143139
(3R,4R)-1-benzylsulfonyl-4-methoxy-3-methyl-4-[(2S)-pyrrolidin-2-yl]butan-2-one
CID 147728581

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-2-phenylethyl)pyrrolidine?
The IUPAC name of 2-(1-methoxy-2-phenylethyl)pyrrolidine (CID 22456721) is 2-(1-methoxy-2-phenylethyl)pyrrolidine.
What is the SMILES notation for 2-(1-methoxy-2-phenylethyl)pyrrolidine?
The canonical SMILES for 2-(1-methoxy-2-phenylethyl)pyrrolidine is COC(Cc1ccccc1)C1CCCN1.
What is the InChIKey of 2-(1-methoxy-2-phenylethyl)pyrrolidine?
The InChIKey is DPYYFDWOFAUVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-15-13(12-8-5-9-14-12)10-11-6-3-2-4-7-11/h2-4,6-7,12-14H,5,8-10H2,1H3.
What are the key properties of 2-(1-methoxy-2-phenylethyl)pyrrolidine?
2-(1-methoxy-2-phenylethyl)pyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-2-phenylethyl)pyrrolidine is sourced from PubChem (CID 22456721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).