3,3-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidine

C15H23N — CID 174262939

IUPAC3,3-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidine
SMILESCC(C)c1ccccc1N1CCC(C)(C)C1
InChIInChI=1S/C15H23N/c1-12(2)13-7-5-6-8-14(13)16-10-9-15(3,4)11-16/h5-8,12H,9-11H2,1-4H3
InChIKeyCSEVNPMPJRSFPN-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.05
Rot. Bonds2

About 3,3-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidine

3,3-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidine (PubChem CID 174262939) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidine
PubChem CID174262939
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3,3-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidine
SMILESCC(C)c1ccccc1N1CCC(C)(C)C1
InChIInChI=1S/C15H23N/c1-12(2)13-7-5-6-8-14(13)16-10-9-15(3,4)11-16/h5-8,12H,9-11H2,1-4H3
InChIKeyCSEVNPMPJRSFPN-UHFFFAOYSA-N
XLogP4.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[2-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 103959036
4,4-difluoro-1-(2-propan-2-ylphenyl)piperidine
CID 117007764
5,5-dimethyl-1-(2-propan-2-ylphenyl)-1,4-diazepane
CID 117023755
1-(2-propan-2-ylphenyl)pyrrolidine
CID 10607693
1-[2-(4,4-dimethylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 62936574
4,4-dimethyl-1-(2-propan-2-ylphenyl)-1,5-diazocane
CID 117014652
(1R)-1-[2-(3,3-dimethylpiperidin-1-yl)phenyl]propan-1-amine
CID 113358840
[4,4-dimethyl-1-(2-propan-2-ylphenyl)piperidin-3-yl]methanol
CID 117025849
1-(2-propan-2-ylphenyl)piperazine
CID 3608822
(1S)-1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 55216576
1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanol
CID 63610270
3,3-diethyl-1-(2-propan-2-ylphenyl)-1,4-diazepane
CID 64940555

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidine?
The IUPAC name of 3,3-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidine (CID 174262939) is 3,3-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidine.
What is the SMILES notation for 3,3-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidine?
The canonical SMILES for 3,3-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidine is CC(C)c1ccccc1N1CCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidine?
The InChIKey is CSEVNPMPJRSFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-12(2)13-7-5-6-8-14(13)16-10-9-15(3,4)11-16/h5-8,12H,9-11H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidine?
3,3-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidine has a molecular weight of 217.36 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidine is sourced from PubChem (CID 174262939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).