1-[(3,4-diethylphenyl)methyl]pyrrolidine

C15H23N — CID 170618261

IUPAC1-[(3,4-diethylphenyl)methyl]pyrrolidine
SMILESCCc1ccc(CN2CCCC2)cc1CC
InChIInChI=1S/C15H23N/c1-3-14-8-7-13(11-15(14)4-2)12-16-9-5-6-10-16/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeyYDEFGMFYCGJBAK-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.41
Rot. Bonds4

About 1-[(3,4-diethylphenyl)methyl]pyrrolidine

1-[(3,4-diethylphenyl)methyl]pyrrolidine (PubChem CID 170618261) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-[(3,4-diethylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(3,4-diethylphenyl)methyl]pyrrolidine
PubChem CID170618261
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-[(3,4-diethylphenyl)methyl]pyrrolidine
SMILESCCc1ccc(CN2CCCC2)cc1CC
InChIInChI=1S/C15H23N/c1-3-14-8-7-13(11-15(14)4-2)12-16-9-5-6-10-16/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeyYDEFGMFYCGJBAK-UHFFFAOYSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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[2-methyl-5-(piperidin-1-ylmethyl)phenyl]methanamine
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4-[(4-ethyl-3-methylphenyl)methyl]morpholine
CID 71052307
1-[(3,4-dimethylphenyl)methyl]piperidine;ethane
CID 176955142
1-[(4-ethyl-3-fluorophenyl)methyl]piperazine
CID 122519320
[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol
CID 46785371
1-[[4-bromo-3-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 170918995
N-ethyl-N-[2-ethyl-5-(piperidin-1-ylmethyl)phenyl]oxan-4-amine
CID 142472240
2-fluoro-5-(pyrrolidin-1-ylmethyl)phenol
CID 117221584
1-[(4-ethyl-3-fluorophenyl)methyl]piperidin-4-amine
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1-[(4-methylphenyl)methyl]azepane
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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-diethylphenyl)methyl]pyrrolidine?
The IUPAC name of 1-[(3,4-diethylphenyl)methyl]pyrrolidine (CID 170618261) is 1-[(3,4-diethylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(3,4-diethylphenyl)methyl]pyrrolidine?
The canonical SMILES for 1-[(3,4-diethylphenyl)methyl]pyrrolidine is CCc1ccc(CN2CCCC2)cc1CC.
What is the InChIKey of 1-[(3,4-diethylphenyl)methyl]pyrrolidine?
The InChIKey is YDEFGMFYCGJBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-14-8-7-13(11-15(14)4-2)12-16-9-5-6-10-16/h7-8,11H,3-6,9-10,12H2,1-2H3.
What are the key properties of 1-[(3,4-diethylphenyl)methyl]pyrrolidine?
1-[(3,4-diethylphenyl)methyl]pyrrolidine has a molecular weight of 217.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-diethylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 170618261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).