(2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine

C17H19NO — CID 28750068

IUPAC(2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine
SMILESc1ccc(-c2ccccc2OC[C@@H]2CCCN2)cc1
InChIInChI=1S/C17H19NO/c1-2-7-14(8-3-1)16-10-4-5-11-17(16)19-13-15-9-6-12-18-15/h1-5,7-8,10-11,15,18H,6,9,12-13H2/t15-/m0/s1
InChIKeyLDHAFPFTXQOSDQ-HNNXBMFYSA-N
MW253.35 g/mol
LogP3.48
Rot. Bonds4

About (2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine

(2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine (PubChem CID 28750068) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine
PubChem CID28750068
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine
SMILESc1ccc(-c2ccccc2OC[C@@H]2CCCN2)cc1
InChIInChI=1S/C17H19NO/c1-2-7-14(8-3-1)16-10-4-5-11-17(16)19-13-15-9-6-12-18-15/h1-5,7-8,10-11,15,18H,6,9,12-13H2/t15-/m0/s1
InChIKeyLDHAFPFTXQOSDQ-HNNXBMFYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-phenylphenoxy)ethyl]piperidine
CID 43149968
[2-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]methanol
CID 102820156
2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile
CID 94406444
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
(2R)-2-[[2-(trifluoromethoxy)phenoxy]methyl]pyrrolidine
CID 102820256
(3R)-3-[(2-phenylphenoxy)methyl]piperidine
CID 26190683
(2S)-2-[(2-propan-2-ylphenoxy)methyl]pyrrolidine
CID 28750009
2-chloro-3-phenyl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 18458735
2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 146447660
2-(1-benzofuran-7-yloxymethyl)pyrrolidine
CID 84682714
(2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 102820264
pyrrolidin-2-ylmethyl N-(2-phenylphenyl)carbamate
CID 163634504

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine?
The IUPAC name of (2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine (CID 28750068) is (2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine?
The canonical SMILES for (2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine is c1ccc(-c2ccccc2OC[C@@H]2CCCN2)cc1.
What is the InChIKey of (2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine?
The InChIKey is LDHAFPFTXQOSDQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-7-14(8-3-1)16-10-4-5-11-17(16)19-13-15-9-6-12-18-15/h1-5,7-8,10-11,15,18H,6,9,12-13H2/t15-/m0/s1.
What are the key properties of (2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine?
(2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine has a molecular weight of 253.35 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine is sourced from PubChem (CID 28750068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).