1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine

C16H24N2O — CID 117405725

IUPAC1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine
SMILESCOc1ccc(N2CCCC2)c(CC2CCCN2)c1
InChIInChI=1S/C16H24N2O/c1-19-15-6-7-16(18-9-2-3-10-18)13(12-15)11-14-5-4-8-17-14/h6-7,12,14,17H,2-5,8-11H2,1H3
InChIKeyDUAHOWMEYOAGFS-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.59
Rot. Bonds4

About 1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine

1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine (PubChem CID 117405725) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine
PubChem CID117405725
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine
SMILESCOc1ccc(N2CCCC2)c(CC2CCCN2)c1
InChIInChI=1S/C16H24N2O/c1-19-15-6-7-16(18-9-2-3-10-18)13(12-15)11-14-5-4-8-17-14/h6-7,12,14,17H,2-5,8-11H2,1H3
InChIKeyDUAHOWMEYOAGFS-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[4-methoxy-2-(piperidin-3-ylmethyl)phenyl]piperidine
CID 117466204
2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 82612103
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine
CID 117435551
2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]piperidine
CID 117447160
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119760453
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654
2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol
CID 117343468
2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117392691
(2S)-2-[(3,5,6-trimethoxyphenanthren-9-yl)methyl]pyrrolidine
CID 71396682
4-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117368692
5-methoxy-2-(2-piperidin-2-ylethyl)-1,3-dihydroisoindole
CID 82164132

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine?
The IUPAC name of 1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine (CID 117405725) is 1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine is COc1ccc(N2CCCC2)c(CC2CCCN2)c1.
What is the InChIKey of 1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine?
The InChIKey is DUAHOWMEYOAGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-19-15-6-7-16(18-9-2-3-10-18)13(12-15)11-14-5-4-8-17-14/h6-7,12,14,17H,2-5,8-11H2,1H3.
What are the key properties of 1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine?
1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine has a molecular weight of 260.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine is sourced from PubChem (CID 117405725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).