1-[2-(2,2-dimethylpropyl)phenyl]pyrrolidine

C15H23N — CID 129255508

IUPAC1-[2-(2,2-dimethylpropyl)phenyl]pyrrolidine
SMILESCC(C)(C)Cc1ccccc1N1CCCC1
InChIInChI=1S/C15H23N/c1-15(2,3)12-13-8-4-5-9-14(13)16-10-6-7-11-16/h4-5,8-9H,6-7,10-12H2,1-3H3
InChIKeySHHJRMWOGBZWIK-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.88
Rot. Bonds2

About 1-[2-(2,2-dimethylpropyl)phenyl]pyrrolidine

1-[2-(2,2-dimethylpropyl)phenyl]pyrrolidine (PubChem CID 129255508) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylpropyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(2,2-dimethylpropyl)phenyl]pyrrolidine
PubChem CID129255508
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-[2-(2,2-dimethylpropyl)phenyl]pyrrolidine
SMILESCC(C)(C)Cc1ccccc1N1CCCC1
InChIInChI=1S/C15H23N/c1-15(2,3)12-13-8-4-5-9-14(13)16-10-6-7-11-16/h4-5,8-9H,6-7,10-12H2,1-3H3
InChIKeySHHJRMWOGBZWIK-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(2,2-dimethylpropyl)phenyl]morpholine
CID 58063137
2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pentan-2-amine
CID 115621683
azane;1-(2-butylphenyl)piperidine
CID 70222464
1-(2-pyrrolidin-1-ylphenyl)butan-2-amine
CID 63787070
2-methyl-1-(2-morpholin-4-ylphenyl)propan-2-amine
CID 82620484
4-[2-(aziridin-1-yl)phenyl]-3-methylbutane-1,3-diol
CID 88844741
2-[(2-pyrrolidin-1-ylphenyl)methyl]phenol
CID 13201564
N-[(2-pyrrolidin-1-ylphenyl)methyl]but-2-yn-1-amine
CID 113342039
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
2-methyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide
CID 61220361
2,2-dimethyl-3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanenitrile
CID 104587166

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylpropyl)phenyl]pyrrolidine?
The IUPAC name of 1-[2-(2,2-dimethylpropyl)phenyl]pyrrolidine (CID 129255508) is 1-[2-(2,2-dimethylpropyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[2-(2,2-dimethylpropyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[2-(2,2-dimethylpropyl)phenyl]pyrrolidine is CC(C)(C)Cc1ccccc1N1CCCC1.
What is the InChIKey of 1-[2-(2,2-dimethylpropyl)phenyl]pyrrolidine?
The InChIKey is SHHJRMWOGBZWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-15(2,3)12-13-8-4-5-9-14(13)16-10-6-7-11-16/h4-5,8-9H,6-7,10-12H2,1-3H3.
What are the key properties of 1-[2-(2,2-dimethylpropyl)phenyl]pyrrolidine?
1-[2-(2,2-dimethylpropyl)phenyl]pyrrolidine has a molecular weight of 217.36 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylpropyl)phenyl]pyrrolidine is sourced from PubChem (CID 129255508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).