(3R)-3-(phenylmethoxymethyl)pyrrolidine

C12H17NO — CID 26192483

IUPAC(3R)-3-(phenylmethoxymethyl)pyrrolidine
SMILESc1ccc(COC[C@@H]2CCNC2)cc1
InChIInChI=1S/C12H17NO/c1-2-4-11(5-3-1)9-14-10-12-6-7-13-8-12/h1-5,12-13H,6-10H2/t12-/m1/s1
InChIKeyRFOAPIACLKWTAY-GFCCVEGCSA-N
MW191.27 g/mol
LogP1.81
Rot. Bonds4

About (3R)-3-(phenylmethoxymethyl)pyrrolidine

(3R)-3-(phenylmethoxymethyl)pyrrolidine (PubChem CID 26192483) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (3R)-3-(phenylmethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(phenylmethoxymethyl)pyrrolidine
PubChem CID26192483
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(3R)-3-(phenylmethoxymethyl)pyrrolidine
SMILESc1ccc(COC[C@@H]2CCNC2)cc1
InChIInChI=1S/C12H17NO/c1-2-4-11(5-3-1)9-14-10-12-6-7-13-8-12/h1-5,12-13H,6-10H2/t12-/m1/s1
InChIKeyRFOAPIACLKWTAY-GFCCVEGCSA-N
XLogP1.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-iodophenyl)methoxymethyl]pyrrolidine
CID 56830526
(3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine
CID 86321723
(3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine
CID 86321821
(3S)-3-[(4-propan-2-ylphenyl)methoxymethyl]pyrrolidine
CID 86325447
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
2-(pyrrolidin-3-ylmethoxymethyl)pyrimidine
CID 62698828
3-[(2-chlorophenyl)methoxymethyl]pyrrolidine
CID 56829907
3-[(2-methylphenyl)methoxymethyl]pyrrolidine
CID 56829929
(3R)-3-[(2-chlorophenyl)methoxymethyl]pyrrolidine
CID 86320752
4-(pyrrolidin-3-ylmethoxymethyl)benzamide
CID 55064845
methyl 4-[[(3R)-pyrrolidin-3-yl]methoxymethyl]benzoate
CID 86321712
4-[(4-ethylphenyl)methoxymethyl]piperidine
CID 55060614

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(phenylmethoxymethyl)pyrrolidine?
The IUPAC name of (3R)-3-(phenylmethoxymethyl)pyrrolidine (CID 26192483) is (3R)-3-(phenylmethoxymethyl)pyrrolidine.
What is the SMILES notation for (3R)-3-(phenylmethoxymethyl)pyrrolidine?
The canonical SMILES for (3R)-3-(phenylmethoxymethyl)pyrrolidine is c1ccc(COC[C@@H]2CCNC2)cc1.
What is the InChIKey of (3R)-3-(phenylmethoxymethyl)pyrrolidine?
The InChIKey is RFOAPIACLKWTAY-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-4-11(5-3-1)9-14-10-12-6-7-13-8-12/h1-5,12-13H,6-10H2/t12-/m1/s1.
What are the key properties of (3R)-3-(phenylmethoxymethyl)pyrrolidine?
(3R)-3-(phenylmethoxymethyl)pyrrolidine has a molecular weight of 191.27 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(phenylmethoxymethyl)pyrrolidine is sourced from PubChem (CID 26192483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).