(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethanamine

C12H20N2O — CID 30073858

IUPAC(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethanamine
SMILESC[C@H](N)c1cccc(OCCN(C)C)c1
InChIInChI=1S/C12H20N2O/c1-10(13)11-5-4-6-12(9-11)15-8-7-14(2)3/h4-6,9-10H,7-8,13H2,1-3H3/t10-/m0/s1
InChIKeyDESQUQJVIHLQJU-JTQLQIEISA-N
MW208.31 g/mol
LogP1.65
Rot. Bonds5

About (1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethanamine

(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethanamine (PubChem CID 30073858) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is (1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethanamine
PubChem CID30073858
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethanamine
SMILESC[C@H](N)c1cccc(OCCN(C)C)c1
InChIInChI=1S/C12H20N2O/c1-10(13)11-5-4-6-12(9-11)15-8-7-14(2)3/h4-6,9-10H,7-8,13H2,1-3H3/t10-/m0/s1
InChIKeyDESQUQJVIHLQJU-JTQLQIEISA-N
XLogP1.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethanamine (CID 30073858) is (1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethanamine is C[C@H](N)c1cccc(OCCN(C)C)c1.
What is the InChIKey of (1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethanamine?
The InChIKey is DESQUQJVIHLQJU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(13)11-5-4-6-12(9-11)15-8-7-14(2)3/h4-6,9-10H,7-8,13H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethanamine?
(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethanamine has a molecular weight of 208.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 30073858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).