3-[(3-methoxyphenyl)methoxy]pyrrolidine;hydrochloride

C12H18ClNO2 — CID 53409421

IUPAC3-[(3-methoxyphenyl)methoxy]pyrrolidine;hydrochloride
SMILESCOc1cccc(COC2CCNC2)c1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-14-11-4-2-3-10(7-11)9-15-12-5-6-13-8-12;/h2-4,7,12-13H,5-6,8-9H2,1H3;1H
InChIKeyVMYRDQOVHNYCOE-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.00
Rot. Bonds4

About 3-[(3-methoxyphenyl)methoxy]pyrrolidine;hydrochloride

3-[(3-methoxyphenyl)methoxy]pyrrolidine;hydrochloride (PubChem CID 53409421) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methoxy]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methoxy]pyrrolidine;hydrochloride
PubChem CID53409421
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name3-[(3-methoxyphenyl)methoxy]pyrrolidine;hydrochloride
SMILESCOc1cccc(COC2CCNC2)c1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-14-11-4-2-3-10(7-11)9-15-12-5-6-13-8-12;/h2-4,7,12-13H,5-6,8-9H2,1H3;1H
InChIKeyVMYRDQOVHNYCOE-UHFFFAOYSA-N
XLogP2.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methoxy]pyrrolidine;hydrochloride?
The IUPAC name of 3-[(3-methoxyphenyl)methoxy]pyrrolidine;hydrochloride (CID 53409421) is 3-[(3-methoxyphenyl)methoxy]pyrrolidine;hydrochloride.
What is the SMILES notation for 3-[(3-methoxyphenyl)methoxy]pyrrolidine;hydrochloride?
The canonical SMILES for 3-[(3-methoxyphenyl)methoxy]pyrrolidine;hydrochloride is COc1cccc(COC2CCNC2)c1.Cl.
What is the InChIKey of 3-[(3-methoxyphenyl)methoxy]pyrrolidine;hydrochloride?
The InChIKey is VMYRDQOVHNYCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-14-11-4-2-3-10(7-11)9-15-12-5-6-13-8-12;/h2-4,7,12-13H,5-6,8-9H2,1H3;1H.
What are the key properties of 3-[(3-methoxyphenyl)methoxy]pyrrolidine;hydrochloride?
3-[(3-methoxyphenyl)methoxy]pyrrolidine;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methoxy]pyrrolidine;hydrochloride is sourced from PubChem (CID 53409421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).