(3R)-3-[(3-methylphenyl)methoxy]pyrrolidine

C12H17NO — CID 26191874

IUPAC(3R)-3-[(3-methylphenyl)methoxy]pyrrolidine
SMILESCc1cccc(CO[C@@H]2CCNC2)c1
InChIInChI=1S/C12H17NO/c1-10-3-2-4-11(7-10)9-14-12-5-6-13-8-12/h2-4,7,12-13H,5-6,8-9H2,1H3/t12-/m1/s1
InChIKeyVCCVPKCJXIKNSE-GFCCVEGCSA-N
MW191.27 g/mol
LogP1.87
Rot. Bonds3

About (3R)-3-[(3-methylphenyl)methoxy]pyrrolidine

(3R)-3-[(3-methylphenyl)methoxy]pyrrolidine (PubChem CID 26191874) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (3R)-3-[(3-methylphenyl)methoxy]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[(3-methylphenyl)methoxy]pyrrolidine
PubChem CID26191874
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(3R)-3-[(3-methylphenyl)methoxy]pyrrolidine
SMILESCc1cccc(CO[C@@H]2CCNC2)c1
InChIInChI=1S/C12H17NO/c1-10-3-2-4-11(7-10)9-14-12-5-6-13-8-12/h2-4,7,12-13H,5-6,8-9H2,1H3/t12-/m1/s1
InChIKeyVCCVPKCJXIKNSE-GFCCVEGCSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-methylphenyl)methoxy]piperidine;hydrochloride
CID 45075442
3-[(3-methoxyphenyl)methoxy]pyrrolidine
CID 20735282
3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride
CID 45075467
3-[(3-bromophenyl)methoxy]pyrrolidine;hydrochloride
CID 53409416
3-[(3-nitrophenyl)methoxy]pyrrolidine
CID 18388249
(3R)-3-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine
CID 126671210
4-[(3-methylphenyl)methoxy]cyclohexan-1-amine
CID 62807401
3-[(3-bromophenyl)methoxy]piperidine
CID 53409415
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
(3R)-3-(3-methylphenoxy)pyrrolidine
CID 24795651
3-(3-methylphenoxy)pyrrolidine
CID 18337170
3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyridine;dihydrochloride
CID 66987447

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-methylphenyl)methoxy]pyrrolidine?
The IUPAC name of (3R)-3-[(3-methylphenyl)methoxy]pyrrolidine (CID 26191874) is (3R)-3-[(3-methylphenyl)methoxy]pyrrolidine.
What is the SMILES notation for (3R)-3-[(3-methylphenyl)methoxy]pyrrolidine?
The canonical SMILES for (3R)-3-[(3-methylphenyl)methoxy]pyrrolidine is Cc1cccc(CO[C@@H]2CCNC2)c1.
What is the InChIKey of (3R)-3-[(3-methylphenyl)methoxy]pyrrolidine?
The InChIKey is VCCVPKCJXIKNSE-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17NO/c1-10-3-2-4-11(7-10)9-14-12-5-6-13-8-12/h2-4,7,12-13H,5-6,8-9H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-3-[(3-methylphenyl)methoxy]pyrrolidine?
(3R)-3-[(3-methylphenyl)methoxy]pyrrolidine has a molecular weight of 191.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-methylphenyl)methoxy]pyrrolidine is sourced from PubChem (CID 26191874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).