(3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine

C18H21NO — CID 71562371

IUPAC(3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine
SMILESCc1ccccc1O[C@@H](c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C18H21NO/c1-14-7-5-6-10-17(14)20-18(16-11-12-19-13-16)15-8-3-2-4-9-15/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m0/s1
InChIKeyYHCLEHAMAKETBI-WMZOPIPTSA-N
MW267.37 g/mol
LogP3.72
Rot. Bonds4

About (3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine

(3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine (PubChem CID 71562371) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine
PubChem CID71562371
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine
SMILESCc1ccccc1O[C@@H](c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C18H21NO/c1-14-7-5-6-10-17(14)20-18(16-11-12-19-13-16)15-8-3-2-4-9-15/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m0/s1
InChIKeyYHCLEHAMAKETBI-WMZOPIPTSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine?
The IUPAC name of (3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine (CID 71562371) is (3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine.
What is the SMILES notation for (3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine?
The canonical SMILES for (3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine is Cc1ccccc1O[C@@H](c1ccccc1)[C@H]1CCNC1.
What is the InChIKey of (3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine?
The InChIKey is YHCLEHAMAKETBI-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H21NO/c1-14-7-5-6-10-17(14)20-18(16-11-12-19-13-16)15-8-3-2-4-9-15/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m0/s1.
What are the key properties of (3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine?
(3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine has a molecular weight of 267.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine is sourced from PubChem (CID 71562371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).