1-[2-[2-(diethylamino)ethoxy]-5-methylphenyl]ethanamine

C15H26N2O — CID 43505039

IUPAC1-[2-[2-(diethylamino)ethoxy]-5-methylphenyl]ethanamine
SMILESCCN(CC)CCOc1ccc(C)cc1C(C)N
InChIInChI=1S/C15H26N2O/c1-5-17(6-2)9-10-18-15-8-7-12(3)11-14(15)13(4)16/h7-8,11,13H,5-6,9-10,16H2,1-4H3
InChIKeyUPZISTFNLYNOPP-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.74
Rot. Bonds7

About 1-[2-[2-(diethylamino)ethoxy]-5-methylphenyl]ethanamine

1-[2-[2-(diethylamino)ethoxy]-5-methylphenyl]ethanamine (PubChem CID 43505039) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[2-[2-(diethylamino)ethoxy]-5-methylphenyl]ethanamine.

Molecular Properties

Compound Name1-[2-[2-(diethylamino)ethoxy]-5-methylphenyl]ethanamine
PubChem CID43505039
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[2-[2-(diethylamino)ethoxy]-5-methylphenyl]ethanamine
SMILESCCN(CC)CCOc1ccc(C)cc1C(C)N
InChIInChI=1S/C15H26N2O/c1-5-17(6-2)9-10-18-15-8-7-12(3)11-14(15)13(4)16/h7-8,11,13H,5-6,9-10,16H2,1-4H3
InChIKeyUPZISTFNLYNOPP-UHFFFAOYSA-N
XLogP2.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]ethanamine
CID 78936500
1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine
CID 43504992
1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine
CID 65176238
(1S)-1-[2-(3-fluoropropoxy)-5-methylphenyl]ethanamine
CID 81106656
1-[2-(methoxymethoxy)-5-methylphenyl]ethanamine
CID 65365858
(1S)-1-[5-methyl-2-(2-methylsulfanylethoxy)phenyl]ethanamine
CID 104863256
6-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]hexan-1-ol
CID 107702679
4-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]butanenitrile
CID 78936428
(1S)-1-(5-methyl-2-pent-3-ynoxyphenyl)ethanamine
CID 104805203
1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114471489
2-[2-(1-aminoethyl)-4-methylphenoxy]-N,N-diethylacetamide
CID 43505060
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-ethyl-N-methylacetamide
CID 55188481

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(diethylamino)ethoxy]-5-methylphenyl]ethanamine?
The IUPAC name of 1-[2-[2-(diethylamino)ethoxy]-5-methylphenyl]ethanamine (CID 43505039) is 1-[2-[2-(diethylamino)ethoxy]-5-methylphenyl]ethanamine.
What is the SMILES notation for 1-[2-[2-(diethylamino)ethoxy]-5-methylphenyl]ethanamine?
The canonical SMILES for 1-[2-[2-(diethylamino)ethoxy]-5-methylphenyl]ethanamine is CCN(CC)CCOc1ccc(C)cc1C(C)N.
What is the InChIKey of 1-[2-[2-(diethylamino)ethoxy]-5-methylphenyl]ethanamine?
The InChIKey is UPZISTFNLYNOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-17(6-2)9-10-18-15-8-7-12(3)11-14(15)13(4)16/h7-8,11,13H,5-6,9-10,16H2,1-4H3.
What are the key properties of 1-[2-[2-(diethylamino)ethoxy]-5-methylphenyl]ethanamine?
1-[2-[2-(diethylamino)ethoxy]-5-methylphenyl]ethanamine has a molecular weight of 250.39 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(diethylamino)ethoxy]-5-methylphenyl]ethanamine is sourced from PubChem (CID 43505039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).