3-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine

C17H28N2O — CID 79340088

IUPAC3-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine
SMILESCC(=Cc1ccc(OCCN(C)C)cc1)CNC(C)C
InChIInChI=1S/C17H28N2O/c1-14(2)18-13-15(3)12-16-6-8-17(9-7-16)20-11-10-19(4)5/h6-9,12,14,18H,10-11,13H2,1-5H3
InChIKeyJNWXHMDYKUYHTJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.03
Rot. Bonds8

About 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine

3-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine (PubChem CID 79340088) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name3-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine
PubChem CID79340088
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine
SMILESCC(=Cc1ccc(OCCN(C)C)cc1)CNC(C)C
InChIInChI=1S/C17H28N2O/c1-14(2)18-13-15(3)12-16-6-8-17(9-7-16)20-11-10-19(4)5/h6-9,12,14,18H,10-11,13H2,1-5H3
InChIKeyJNWXHMDYKUYHTJ-UHFFFAOYSA-N
XLogP3.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine (CID 79340088) is 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine is CC(=Cc1ccc(OCCN(C)C)cc1)CNC(C)C.
What is the InChIKey of 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is JNWXHMDYKUYHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)18-13-15(3)12-16-6-8-17(9-7-16)20-11-10-19(4)5/h6-9,12,14,18H,10-11,13H2,1-5H3.
What are the key properties of 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine?
3-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 79340088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).