3-(3-chlorophenyl)-3-propan-2-ylpyrrolidine

C13H18ClN — CID 83891535

IUPAC3-(3-chlorophenyl)-3-propan-2-ylpyrrolidine
SMILESCC(C)C1(c2cccc(Cl)c2)CCNC1
InChIInChI=1S/C13H18ClN/c1-10(2)13(6-7-15-9-13)11-4-3-5-12(14)8-11/h3-5,8,10,15H,6-7,9H2,1-2H3
InChIKeyAWGWZOMFGVFFCK-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.23
Rot. Bonds2

About 3-(3-chlorophenyl)-3-propan-2-ylpyrrolidine

3-(3-chlorophenyl)-3-propan-2-ylpyrrolidine (PubChem CID 83891535) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-propan-2-ylpyrrolidine
PubChem CID83891535
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name3-(3-chlorophenyl)-3-propan-2-ylpyrrolidine
SMILESCC(C)C1(c2cccc(Cl)c2)CCNC1
InChIInChI=1S/C13H18ClN/c1-10(2)13(6-7-15-9-13)11-4-3-5-12(14)8-11/h3-5,8,10,15H,6-7,9H2,1-2H3
InChIKeyAWGWZOMFGVFFCK-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-chlorophenyl)-4-(difluoromethyl)piperidine
CID 84737368
2-(3-chlorophenyl)-2-propan-2-ylpiperidine
CID 115058678
3-(4-bromophenyl)-3-propan-2-ylpyrrolidine
CID 83902900
1-chloro-3-[1-(difluoromethyl)cyclopropyl]benzene
CID 84721508
5-chloro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983205
N-[1-(3-chlorophenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980234
6-chloro-1-ethyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983266
4-(2-chlorophenyl)-4-propan-2-ylpiperidine
CID 83897892
1-chloro-3-(1-methylcyclopropyl)benzene;ethane
CID 171088326
3-(3-chloro-4-fluorophenyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983391
(3-chlorophenyl)methyl 3-propan-2-ylpyrrolidine-3-carboxylate
CID 106983587
2-[3-(3-chlorophenyl)azepan-3-yl]ethanol
CID 19418633

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-propan-2-ylpyrrolidine?
The IUPAC name of 3-(3-chlorophenyl)-3-propan-2-ylpyrrolidine (CID 83891535) is 3-(3-chlorophenyl)-3-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-(3-chlorophenyl)-3-propan-2-ylpyrrolidine?
The canonical SMILES for 3-(3-chlorophenyl)-3-propan-2-ylpyrrolidine is CC(C)C1(c2cccc(Cl)c2)CCNC1.
What is the InChIKey of 3-(3-chlorophenyl)-3-propan-2-ylpyrrolidine?
The InChIKey is AWGWZOMFGVFFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-10(2)13(6-7-15-9-13)11-4-3-5-12(14)8-11/h3-5,8,10,15H,6-7,9H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-3-propan-2-ylpyrrolidine?
3-(3-chlorophenyl)-3-propan-2-ylpyrrolidine has a molecular weight of 223.75 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 83891535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).