1-[2-chloro-3-(2-methylpropyl)phenyl]pyrrolidine

C14H20ClN — CID 157399894

IUPAC1-[2-chloro-3-(2-methylpropyl)phenyl]pyrrolidine
SMILESCC(C)Cc1cccc(N2CCCC2)c1Cl
InChIInChI=1S/C14H20ClN/c1-11(2)10-12-6-5-7-13(14(12)15)16-8-3-4-9-16/h5-7,11H,3-4,8-10H2,1-2H3
InChIKeyUUKKSXAFCCOTBP-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.14
Rot. Bonds3

About 1-[2-chloro-3-(2-methylpropyl)phenyl]pyrrolidine

1-[2-chloro-3-(2-methylpropyl)phenyl]pyrrolidine (PubChem CID 157399894) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 1-[2-chloro-3-(2-methylpropyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-chloro-3-(2-methylpropyl)phenyl]pyrrolidine
PubChem CID157399894
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name1-[2-chloro-3-(2-methylpropyl)phenyl]pyrrolidine
SMILESCC(C)Cc1cccc(N2CCCC2)c1Cl
InChIInChI=1S/C14H20ClN/c1-11(2)10-12-6-5-7-13(14(12)15)16-8-3-4-9-16/h5-7,11H,3-4,8-10H2,1-2H3
InChIKeyUUKKSXAFCCOTBP-UHFFFAOYSA-N
XLogP4.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-3-(2-methylpropyl)phenyl]pyrrolidine?
The IUPAC name of 1-[2-chloro-3-(2-methylpropyl)phenyl]pyrrolidine (CID 157399894) is 1-[2-chloro-3-(2-methylpropyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[2-chloro-3-(2-methylpropyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[2-chloro-3-(2-methylpropyl)phenyl]pyrrolidine is CC(C)Cc1cccc(N2CCCC2)c1Cl.
What is the InChIKey of 1-[2-chloro-3-(2-methylpropyl)phenyl]pyrrolidine?
The InChIKey is UUKKSXAFCCOTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-11(2)10-12-6-5-7-13(14(12)15)16-8-3-4-9-16/h5-7,11H,3-4,8-10H2,1-2H3.
What are the key properties of 1-[2-chloro-3-(2-methylpropyl)phenyl]pyrrolidine?
1-[2-chloro-3-(2-methylpropyl)phenyl]pyrrolidine has a molecular weight of 237.77 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-3-(2-methylpropyl)phenyl]pyrrolidine is sourced from PubChem (CID 157399894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).