1-(2-methoxy-4-propoxyphenyl)pyrrolidine

C14H21NO2 — CID 144603099

IUPAC1-(2-methoxy-4-propoxyphenyl)pyrrolidine
SMILESCCCOc1ccc(N2CCCC2)c(OC)c1
InChIInChI=1S/C14H21NO2/c1-3-10-17-12-6-7-13(14(11-12)16-2)15-8-4-5-9-15/h6-7,11H,3-5,8-10H2,1-2H3
InChIKeyRSKXKRGNNYXZCF-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.08
Rot. Bonds5

About 1-(2-methoxy-4-propoxyphenyl)pyrrolidine

1-(2-methoxy-4-propoxyphenyl)pyrrolidine (PubChem CID 144603099) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2-methoxy-4-propoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-methoxy-4-propoxyphenyl)pyrrolidine
PubChem CID144603099
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(2-methoxy-4-propoxyphenyl)pyrrolidine
SMILESCCCOc1ccc(N2CCCC2)c(OC)c1
InChIInChI=1S/C14H21NO2/c1-3-10-17-12-6-7-13(14(11-12)16-2)15-8-4-5-9-15/h6-7,11H,3-5,8-10H2,1-2H3
InChIKeyRSKXKRGNNYXZCF-UHFFFAOYSA-N
XLogP3.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
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-[2-methoxy-4-(2-methoxyethoxy)phenyl]piperazine;hydrochloride
CID 156693635
3-butoxy-4-pyrrolidin-1-ylaniline
CID 165357451
N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]propan-1-amine
CID 84754166
1-(2-butoxyphenyl)pyrrolidine
CID 154391189
2-methoxy-5-propoxybenzoic acid
CID 82265622
1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine
CID 43472287
3-(3-methoxy-4-pyrrolidin-1-ylphenyl)propan-1-amine
CID 170867943
1-(4-butoxy-2-methylphenyl)-1,4-diazepane
CID 83134110
2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine
CID 84754658
2,2,2-trifluoro-N-[1-[4-[1-(2-methoxy-4-propoxyphenyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]ethyl]acetamide
CID 87279057
[4-propoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol
CID 61494348
1-[4-propoxy-2-(trifluoromethyl)phenyl]-4-propylpiperazine
CID 20770576

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-propoxyphenyl)pyrrolidine?
The IUPAC name of 1-(2-methoxy-4-propoxyphenyl)pyrrolidine (CID 144603099) is 1-(2-methoxy-4-propoxyphenyl)pyrrolidine.
What is the SMILES notation for 1-(2-methoxy-4-propoxyphenyl)pyrrolidine?
The canonical SMILES for 1-(2-methoxy-4-propoxyphenyl)pyrrolidine is CCCOc1ccc(N2CCCC2)c(OC)c1.
What is the InChIKey of 1-(2-methoxy-4-propoxyphenyl)pyrrolidine?
The InChIKey is RSKXKRGNNYXZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-10-17-12-6-7-13(14(11-12)16-2)15-8-4-5-9-15/h6-7,11H,3-5,8-10H2,1-2H3.
What are the key properties of 1-(2-methoxy-4-propoxyphenyl)pyrrolidine?
1-(2-methoxy-4-propoxyphenyl)pyrrolidine has a molecular weight of 235.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-propoxyphenyl)pyrrolidine is sourced from PubChem (CID 144603099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).