1-(2-propan-2-ylphenyl)pyrrolidine

C13H19N — CID 10607693

IUPAC1-(2-propan-2-ylphenyl)pyrrolidine
SMILESCC(C)c1ccccc1N1CCCC1
InChIInChI=1S/C13H19N/c1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyJNHDGWCFBGGFJU-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.41
Rot. Bonds2

About 1-(2-propan-2-ylphenyl)pyrrolidine

1-(2-propan-2-ylphenyl)pyrrolidine (PubChem CID 10607693) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-(2-propan-2-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-propan-2-ylphenyl)pyrrolidine
PubChem CID10607693
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-(2-propan-2-ylphenyl)pyrrolidine
SMILESCC(C)c1ccccc1N1CCCC1
InChIInChI=1S/C13H19N/c1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyJNHDGWCFBGGFJU-UHFFFAOYSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(azepan-1-yl)phenyl]ethanamine
CID 10680362
(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine
CID 28801549
1-(2-propan-2-ylphenyl)piperazine
CID 3608822
3-methyl-1-(2-propan-2-ylphenyl)-1,4-diazocane
CID 117016339
4,4-difluoro-1-(2-propan-2-ylphenyl)piperidine
CID 117007764
4,4-dimethyl-1-(2-propan-2-ylphenyl)-1,5-diazocane
CID 117014652
2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol
CID 117028316
1-[2,6-di(propan-2-yl)phenyl]piperidine
CID 10634131
1-(2-piperidin-1-ylphenyl)ethyl methanesulfonate
CID 163241667
(1R)-1-(2-piperidin-1-ylphenyl)propan-1-ol
CID 103959701
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428
3,3-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidine
CID 174262939

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylphenyl)pyrrolidine?
The IUPAC name of 1-(2-propan-2-ylphenyl)pyrrolidine (CID 10607693) is 1-(2-propan-2-ylphenyl)pyrrolidine.
What is the SMILES notation for 1-(2-propan-2-ylphenyl)pyrrolidine?
The canonical SMILES for 1-(2-propan-2-ylphenyl)pyrrolidine is CC(C)c1ccccc1N1CCCC1.
What is the InChIKey of 1-(2-propan-2-ylphenyl)pyrrolidine?
The InChIKey is JNHDGWCFBGGFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3.
What are the key properties of 1-(2-propan-2-ylphenyl)pyrrolidine?
1-(2-propan-2-ylphenyl)pyrrolidine has a molecular weight of 189.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylphenyl)pyrrolidine is sourced from PubChem (CID 10607693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).