2-(4-methoxyphenyl)-4-methyl-1-pyrrolidin-1-ylpentan-2-amine

C17H28N2O — CID 43829937

IUPAC2-(4-methoxyphenyl)-4-methyl-1-pyrrolidin-1-ylpentan-2-amine
SMILESCOc1ccc(C(N)(CC(C)C)CN2CCCC2)cc1
InChIInChI=1S/C17H28N2O/c1-14(2)12-17(18,13-19-10-4-5-11-19)15-6-8-16(20-3)9-7-15/h6-9,14H,4-5,10-13,18H2,1-3H3
InChIKeyJNTGZGFULIRYTL-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.99
Rot. Bonds6

About 2-(4-methoxyphenyl)-4-methyl-1-pyrrolidin-1-ylpentan-2-amine

2-(4-methoxyphenyl)-4-methyl-1-pyrrolidin-1-ylpentan-2-amine (PubChem CID 43829937) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-methyl-1-pyrrolidin-1-ylpentan-2-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-methyl-1-pyrrolidin-1-ylpentan-2-amine
PubChem CID43829937
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(4-methoxyphenyl)-4-methyl-1-pyrrolidin-1-ylpentan-2-amine
SMILESCOc1ccc(C(N)(CC(C)C)CN2CCCC2)cc1
InChIInChI=1S/C17H28N2O/c1-14(2)12-17(18,13-19-10-4-5-11-19)15-6-8-16(20-3)9-7-15/h6-9,14H,4-5,10-13,18H2,1-3H3
InChIKeyJNTGZGFULIRYTL-UHFFFAOYSA-N
XLogP2.99
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-methyl-1-pyrrolidin-1-ylpentan-2-amine?
The IUPAC name of 2-(4-methoxyphenyl)-4-methyl-1-pyrrolidin-1-ylpentan-2-amine (CID 43829937) is 2-(4-methoxyphenyl)-4-methyl-1-pyrrolidin-1-ylpentan-2-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-methyl-1-pyrrolidin-1-ylpentan-2-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-4-methyl-1-pyrrolidin-1-ylpentan-2-amine is COc1ccc(C(N)(CC(C)C)CN2CCCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-methyl-1-pyrrolidin-1-ylpentan-2-amine?
The InChIKey is JNTGZGFULIRYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)12-17(18,13-19-10-4-5-11-19)15-6-8-16(20-3)9-7-15/h6-9,14H,4-5,10-13,18H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-4-methyl-1-pyrrolidin-1-ylpentan-2-amine?
2-(4-methoxyphenyl)-4-methyl-1-pyrrolidin-1-ylpentan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-methyl-1-pyrrolidin-1-ylpentan-2-amine is sourced from PubChem (CID 43829937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).