1-[3-(3-methylphenoxy)propyl]pyrrolidine

C14H21NO — CID 2841216

IUPAC1-[3-(3-methylphenoxy)propyl]pyrrolidine
SMILESCc1cccc(OCCCN2CCCC2)c1
InChIInChI=1S/C14H21NO/c1-13-6-4-7-14(12-13)16-11-5-10-15-8-2-3-9-15/h4,6-7,12H,2-3,5,8-11H2,1H3
InChIKeyJCXKBVFBLXNXDP-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.86
Rot. Bonds5

About 1-[3-(3-methylphenoxy)propyl]pyrrolidine

1-[3-(3-methylphenoxy)propyl]pyrrolidine (PubChem CID 2841216) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[3-(3-methylphenoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(3-methylphenoxy)propyl]pyrrolidine
PubChem CID2841216
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[3-(3-methylphenoxy)propyl]pyrrolidine
SMILESCc1cccc(OCCCN2CCCC2)c1
InChIInChI=1S/C14H21NO/c1-13-6-4-7-14(12-13)16-11-5-10-15-8-2-3-9-15/h4,6-7,12H,2-3,5,8-11H2,1H3
InChIKeyJCXKBVFBLXNXDP-UHFFFAOYSA-N
XLogP2.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylphenoxy)propyl]pyrrolidine?
The IUPAC name of 1-[3-(3-methylphenoxy)propyl]pyrrolidine (CID 2841216) is 1-[3-(3-methylphenoxy)propyl]pyrrolidine.
What is the SMILES notation for 1-[3-(3-methylphenoxy)propyl]pyrrolidine?
The canonical SMILES for 1-[3-(3-methylphenoxy)propyl]pyrrolidine is Cc1cccc(OCCCN2CCCC2)c1.
What is the InChIKey of 1-[3-(3-methylphenoxy)propyl]pyrrolidine?
The InChIKey is JCXKBVFBLXNXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-13-6-4-7-14(12-13)16-11-5-10-15-8-2-3-9-15/h4,6-7,12H,2-3,5,8-11H2,1H3.
What are the key properties of 1-[3-(3-methylphenoxy)propyl]pyrrolidine?
1-[3-(3-methylphenoxy)propyl]pyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylphenoxy)propyl]pyrrolidine is sourced from PubChem (CID 2841216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).