3-(4-chlorophenyl)-2-(2-methylpropyl)pyrrolidine

C14H20ClN — CID 62763269

IUPAC3-(4-chlorophenyl)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1NCCC1c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN/c1-10(2)9-14-13(7-8-16-14)11-3-5-12(15)6-4-11/h3-6,10,13-14,16H,7-9H2,1-2H3
InChIKeyOVCKYPPWORKNKB-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.83
Rot. Bonds3

About 3-(4-chlorophenyl)-2-(2-methylpropyl)pyrrolidine

3-(4-chlorophenyl)-2-(2-methylpropyl)pyrrolidine (PubChem CID 62763269) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(2-methylpropyl)pyrrolidine
PubChem CID62763269
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name3-(4-chlorophenyl)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1NCCC1c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN/c1-10(2)9-14-13(7-8-16-14)11-3-5-12(15)6-4-11/h3-6,10,13-14,16H,7-9H2,1-2H3
InChIKeyOVCKYPPWORKNKB-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3R)-2-(2-methylpropyl)-3-phenylpyrrolidine
CID 101397686
(2S,3S)-2-(2-methylpropyl)-3-phenylpyrrolidine
CID 101397684
4-(4-chlorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one
CID 66106592
2-(2-methylpropyl)-3-(4-propoxyphenyl)pyrrolidine
CID 55112134
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)pyrrolidine
CID 62763290
4-(3-chloro-4-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one
CID 81157096
2-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 62763612
3-(3-ethoxyphenyl)-2-(2-methylpropyl)pyrrolidine
CID 62763617
3,4-bis(4-chlorophenyl)piperidine
CID 79434307
3-(4-bromophenyl)-2-propan-2-ylpyrrolidine
CID 82379536
2-benzyl-3-(3-chloro-4-fluorophenyl)pyrrolidine
CID 81165823
3-phenyl-2-propan-2-ylpyrrolidine
CID 64689457

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 3-(4-chlorophenyl)-2-(2-methylpropyl)pyrrolidine (CID 62763269) is 3-(4-chlorophenyl)-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 3-(4-chlorophenyl)-2-(2-methylpropyl)pyrrolidine is CC(C)CC1NCCC1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(2-methylpropyl)pyrrolidine?
The InChIKey is OVCKYPPWORKNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-10(2)9-14-13(7-8-16-14)11-3-5-12(15)6-4-11/h3-6,10,13-14,16H,7-9H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-2-(2-methylpropyl)pyrrolidine?
3-(4-chlorophenyl)-2-(2-methylpropyl)pyrrolidine has a molecular weight of 237.77 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 62763269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).