2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine

C18H21NO — CID 82341654

IUPAC2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
SMILESCOc1ccc(-c2ccc(CC3CCCN3)cc2)cc1
InChIInChI=1S/C18H21NO/c1-20-18-10-8-16(9-11-18)15-6-4-14(5-7-15)13-17-3-2-12-19-17/h4-11,17,19H,2-3,12-13H2,1H3
InChIKeyOPVLJHHLEKLHGZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.66
Rot. Bonds4

About 2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine

2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine (PubChem CID 82341654) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
PubChem CID82341654
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
SMILESCOc1ccc(-c2ccc(CC3CCCN3)cc2)cc1
InChIInChI=1S/C18H21NO/c1-20-18-10-8-16(9-11-18)15-6-4-14(5-7-15)13-17-3-2-12-19-17/h4-11,17,19H,2-3,12-13H2,1H3
InChIKeyOPVLJHHLEKLHGZ-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methoxyphenyl)methyl]azetidine
CID 71756117
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2-[[4-(2-chloroethoxy)phenyl]methyl]pyrrolidine
CID 174595091
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
4-(4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 115054009
2-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine
CID 84677033
2-[3-(4-methoxyphenyl)propyl]piperidine
CID 65446310
(2S)-2-[(4-methoxyphenyl)methoxymethyl]piperidine
CID 86324715
(2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine
CID 39345713
N-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine
CID 61418183
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
2-[[4-(2-methoxyethyl)phenyl]methyl]piperidine
CID 117339226

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine (CID 82341654) is 2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine is COc1ccc(-c2ccc(CC3CCCN3)cc2)cc1.
What is the InChIKey of 2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine?
The InChIKey is OPVLJHHLEKLHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-20-18-10-8-16(9-11-18)15-6-4-14(5-7-15)13-17-3-2-12-19-17/h4-11,17,19H,2-3,12-13H2,1H3.
What are the key properties of 2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine?
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine has a molecular weight of 267.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 82341654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).