4-methyl-2-[1-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]phenol

C16H26N2O — CID 82979913

IUPAC4-methyl-2-[1-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)N(C)CCN2CCCC2)c1
InChIInChI=1S/C16H26N2O/c1-13-6-7-16(19)15(12-13)14(2)17(3)10-11-18-8-4-5-9-18/h6-7,12,14,19H,4-5,8-11H2,1-3H3
InChIKeyWDEGLNLCJRRAMB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.79
Rot. Bonds5

About 4-methyl-2-[1-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]phenol

4-methyl-2-[1-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]phenol (PubChem CID 82979913) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-methyl-2-[1-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]phenol
PubChem CID82979913
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-methyl-2-[1-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)N(C)CCN2CCCC2)c1
InChIInChI=1S/C16H26N2O/c1-13-6-7-16(19)15(12-13)14(2)17(3)10-11-18-8-4-5-9-18/h6-7,12,14,19H,4-5,8-11H2,1-3H3
InChIKeyWDEGLNLCJRRAMB-UHFFFAOYSA-N
XLogP2.79
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]phenol?
The IUPAC name of 4-methyl-2-[1-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]phenol (CID 82979913) is 4-methyl-2-[1-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]phenol is Cc1ccc(O)c(C(C)N(C)CCN2CCCC2)c1.
What is the InChIKey of 4-methyl-2-[1-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]phenol?
The InChIKey is WDEGLNLCJRRAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-6-7-16(19)15(12-13)14(2)17(3)10-11-18-8-4-5-9-18/h6-7,12,14,19H,4-5,8-11H2,1-3H3.
What are the key properties of 4-methyl-2-[1-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]phenol?
4-methyl-2-[1-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]phenol is sourced from PubChem (CID 82979913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).