(2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine

C14H21NO2 — CID 66519768

IUPAC(2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine
SMILESCOc1cc([C@H]2CCCN2)ccc1OC(C)C
InChIInChI=1S/C14H21NO2/c1-10(2)17-13-7-6-11(9-14(13)16-3)12-5-4-8-15-12/h6-7,9-10,12,15H,4-5,8H2,1-3H3/t12-/m1/s1
InChIKeyUJACSUDIJDVBNB-GFCCVEGCSA-N
MW235.33 g/mol
LogP2.91
Rot. Bonds4

About (2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine

(2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine (PubChem CID 66519768) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine
PubChem CID66519768
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine
SMILESCOc1cc([C@H]2CCCN2)ccc1OC(C)C
InChIInChI=1S/C14H21NO2/c1-10(2)17-13-7-6-11(9-14(13)16-3)12-5-4-8-15-12/h6-7,9-10,12,15H,4-5,8H2,1-3H3/t12-/m1/s1
InChIKeyUJACSUDIJDVBNB-GFCCVEGCSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-propan-2-yloxyphenyl)pyrrolidine
CID 84800143
(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815
2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 82158685
2-(3-fluoro-4-propan-2-yloxyphenyl)piperidine
CID 82291972
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]pyrrolidine
CID 117371452
2-(4-cyclopentyloxy-3-methoxyphenyl)piperidine
CID 117440861
(2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine
CID 66518885
2-methoxy-5-piperidin-2-ylaniline
CID 117116326
2-(3-methoxy-4-methylsulfonylphenyl)pyrrolidine
CID 117391561
[2-methoxy-4-[(2S)-piperidin-2-yl]phenyl] acetate;hydrochloride
CID 171195107
2-[4-(dimethoxymethyl)phenyl]pyrrolidine
CID 84788037
CID 176965942
CID 176965942

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine?
The IUPAC name of (2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine (CID 66519768) is (2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine.
What is the SMILES notation for (2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine?
The canonical SMILES for (2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine is COc1cc([C@H]2CCCN2)ccc1OC(C)C.
What is the InChIKey of (2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine?
The InChIKey is UJACSUDIJDVBNB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)17-13-7-6-11(9-14(13)16-3)12-5-4-8-15-12/h6-7,9-10,12,15H,4-5,8H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine?
(2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine has a molecular weight of 235.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine is sourced from PubChem (CID 66519768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).