1-benzyl-3-propan-2-yl-3-(4-propylphenyl)pyrrolidine

C23H31N — CID 167199921

IUPAC1-benzyl-3-propan-2-yl-3-(4-propylphenyl)pyrrolidine
SMILESCCCc1ccc(C2(C(C)C)CCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C23H31N/c1-4-8-20-11-13-22(14-12-20)23(19(2)3)15-16-24(18-23)17-21-9-6-5-7-10-21/h5-7,9-14,19H,4,8,15-18H2,1-3H3
InChIKeyGVPAHPQQYHXELM-UHFFFAOYSA-N
MW321.51 g/mol
LogP5.44
Rot. Bonds6

About 1-benzyl-3-propan-2-yl-3-(4-propylphenyl)pyrrolidine

1-benzyl-3-propan-2-yl-3-(4-propylphenyl)pyrrolidine (PubChem CID 167199921) has the molecular formula C23H31N and a molecular weight of 321.51 g/mol. Its IUPAC name is 1-benzyl-3-propan-2-yl-3-(4-propylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-benzyl-3-propan-2-yl-3-(4-propylphenyl)pyrrolidine
PubChem CID167199921
Molecular FormulaC23H31N
Molecular Weight321.51 g/mol
Exact Mass321.25
IUPAC Name1-benzyl-3-propan-2-yl-3-(4-propylphenyl)pyrrolidine
SMILESCCCc1ccc(C2(C(C)C)CCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C23H31N/c1-4-8-20-11-13-22(14-12-20)23(19(2)3)15-16-24(18-23)17-21-9-6-5-7-10-21/h5-7,9-14,19H,4,8,15-18H2,1-3H3
InChIKeyGVPAHPQQYHXELM-UHFFFAOYSA-N
XLogP5.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-(4-chlorophenyl)-3-propan-2-ylpyrrolidine
CID 171593524
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
1-benzyl-3-methyl-3-propylpyrrolidine;molecular hydrogen
CID 143853919
1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine
CID 167264369
1-benzyl-4-[4-(2-hydroxyethyl)phenyl]piperidin-4-ol
CID 14903438
4-[(3R)-1-benzyl-3-methylpyrrolidin-3-yl]aniline
CID 124566342
(1-benzyl-3-methoxypyrrolidin-3-yl)methanol
CID 19382171
[1-benzyl-3-(2-methylpropyl)pyrrolidin-3-yl]methanamine
CID 83825251
2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid
CID 55071707
1-benzyl-3-fluoro-3-propan-2-ylazetidine
CID 163258397
3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine
CID 43272771
2-benzyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 2868838

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-propan-2-yl-3-(4-propylphenyl)pyrrolidine?
The IUPAC name of 1-benzyl-3-propan-2-yl-3-(4-propylphenyl)pyrrolidine (CID 167199921) is 1-benzyl-3-propan-2-yl-3-(4-propylphenyl)pyrrolidine.
What is the SMILES notation for 1-benzyl-3-propan-2-yl-3-(4-propylphenyl)pyrrolidine?
The canonical SMILES for 1-benzyl-3-propan-2-yl-3-(4-propylphenyl)pyrrolidine is CCCc1ccc(C2(C(C)C)CCN(Cc3ccccc3)C2)cc1.
What is the InChIKey of 1-benzyl-3-propan-2-yl-3-(4-propylphenyl)pyrrolidine?
The InChIKey is GVPAHPQQYHXELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N/c1-4-8-20-11-13-22(14-12-20)23(19(2)3)15-16-24(18-23)17-21-9-6-5-7-10-21/h5-7,9-14,19H,4,8,15-18H2,1-3H3.
What are the key properties of 1-benzyl-3-propan-2-yl-3-(4-propylphenyl)pyrrolidine?
1-benzyl-3-propan-2-yl-3-(4-propylphenyl)pyrrolidine has a molecular weight of 321.51 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-propan-2-yl-3-(4-propylphenyl)pyrrolidine is sourced from PubChem (CID 167199921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).