1-[4-(3-methoxyphenyl)phenyl]pyrrolidine

C17H19NO — CID 168512705

IUPAC1-[4-(3-methoxyphenyl)phenyl]pyrrolidine
SMILESCOc1cccc(-c2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C17H19NO/c1-19-17-6-4-5-15(13-17)14-7-9-16(10-8-14)18-11-2-3-12-18/h4-10,13H,2-3,11-12H2,1H3
InChIKeyPWRQPNBSTUDPAY-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.96
Rot. Bonds3

About 1-[4-(3-methoxyphenyl)phenyl]pyrrolidine

1-[4-(3-methoxyphenyl)phenyl]pyrrolidine (PubChem CID 168512705) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)phenyl]pyrrolidine
PubChem CID168512705
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-[4-(3-methoxyphenyl)phenyl]pyrrolidine
SMILESCOc1cccc(-c2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C17H19NO/c1-19-17-6-4-5-15(13-17)14-7-9-16(10-8-14)18-11-2-3-12-18/h4-10,13H,2-3,11-12H2,1H3
InChIKeyPWRQPNBSTUDPAY-UHFFFAOYSA-N
XLogP3.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)phenyl]pyrrolidine?
The IUPAC name of 1-[4-(3-methoxyphenyl)phenyl]pyrrolidine (CID 168512705) is 1-[4-(3-methoxyphenyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[4-(3-methoxyphenyl)phenyl]pyrrolidine is COc1cccc(-c2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)phenyl]pyrrolidine?
The InChIKey is PWRQPNBSTUDPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-19-17-6-4-5-15(13-17)14-7-9-16(10-8-14)18-11-2-3-12-18/h4-10,13H,2-3,11-12H2,1H3.
What are the key properties of 1-[4-(3-methoxyphenyl)phenyl]pyrrolidine?
1-[4-(3-methoxyphenyl)phenyl]pyrrolidine has a molecular weight of 253.34 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)phenyl]pyrrolidine is sourced from PubChem (CID 168512705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).