(2R)-1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-2-(methoxymethyl)pyrrolidine

C18H28ClNO — CID 155139022

IUPAC(2R)-1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@H]1CCCN1C(C)CC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C18H28ClNO/c1-14(20-11-5-6-17(20)13-21-4)12-18(2,3)15-7-9-16(19)10-8-15/h7-10,14,17H,5-6,11-13H2,1-4H3/t14?,17-/m1/s1
InChIKeyJSCSLIMBRJXXLQ-FBMWCMRBSA-N
MW309.88 g/mol
LogP4.51
Rot. Bonds6

About (2R)-1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-2-(methoxymethyl)pyrrolidine

(2R)-1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-2-(methoxymethyl)pyrrolidine (PubChem CID 155139022) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is (2R)-1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-2-(methoxymethyl)pyrrolidine
PubChem CID155139022
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name(2R)-1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@H]1CCCN1C(C)CC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C18H28ClNO/c1-14(20-11-5-6-17(20)13-21-4)12-18(2,3)15-7-9-16(19)10-8-15/h7-10,14,17H,5-6,11-13H2,1-4H3/t14?,17-/m1/s1
InChIKeyJSCSLIMBRJXXLQ-FBMWCMRBSA-N
XLogP4.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-2-(methoxymethyl)pyrrolidine?
The IUPAC name of (2R)-1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-2-(methoxymethyl)pyrrolidine (CID 155139022) is (2R)-1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2R)-1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for (2R)-1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-2-(methoxymethyl)pyrrolidine is COC[C@H]1CCCN1C(C)CC(C)(C)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-2-(methoxymethyl)pyrrolidine?
The InChIKey is JSCSLIMBRJXXLQ-FBMWCMRBSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-14(20-11-5-6-17(20)13-21-4)12-18(2,3)15-7-9-16(19)10-8-15/h7-10,14,17H,5-6,11-13H2,1-4H3/t14?,17-/m1/s1.
What are the key properties of (2R)-1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-2-(methoxymethyl)pyrrolidine?
(2R)-1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-2-(methoxymethyl)pyrrolidine has a molecular weight of 309.88 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(4-chlorophenyl)-4-methylpentan-2-yl]-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 155139022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).