1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine

C14H23NO2 — CID 65176238

IUPAC1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine
SMILESCCOCCCOc1ccc(C)cc1C(C)N
InChIInChI=1S/C14H23NO2/c1-4-16-8-5-9-17-14-7-6-11(2)10-13(14)12(3)15/h6-7,10,12H,4-5,8-9,15H2,1-3H3
InChIKeyFIRCDRNOPCLRNA-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.82
Rot. Bonds7

About 1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine

1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine (PubChem CID 65176238) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine
PubChem CID65176238
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine
SMILESCCOCCCOc1ccc(C)cc1C(C)N
InChIInChI=1S/C14H23NO2/c1-4-16-8-5-9-17-14-7-6-11(2)10-13(14)12(3)15/h6-7,10,12H,4-5,8-9,15H2,1-3H3
InChIKeyFIRCDRNOPCLRNA-UHFFFAOYSA-N
XLogP2.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[2-(3-fluoropropoxy)-5-methylphenyl]ethanamine
CID 81106656
(1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine
CID 63639630
6-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]hexan-1-ol
CID 107702679
1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine
CID 43504992
(1R)-1-[2-(3-ethoxypropoxy)phenyl]ethanamine
CID 79004773
4-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]butanenitrile
CID 78936428
1-[2-[2-(diethylamino)ethoxy]-5-methylphenyl]ethanamine
CID 43505039
(1S)-1-[5-methyl-2-(2-methylsulfanylethoxy)phenyl]ethanamine
CID 104863256
(1S)-1-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]ethanamine
CID 78936500
1-[2-(2-ethoxyethoxy)-5-methylphenyl]ethanol
CID 43505298
(1S)-1-(5-methyl-2-pent-3-ynoxyphenyl)ethanamine
CID 104805203
1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114471489

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine?
The IUPAC name of 1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine (CID 65176238) is 1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine.
What is the SMILES notation for 1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine?
The canonical SMILES for 1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine is CCOCCCOc1ccc(C)cc1C(C)N.
What is the InChIKey of 1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine?
The InChIKey is FIRCDRNOPCLRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-16-8-5-9-17-14-7-6-11(2)10-13(14)12(3)15/h6-7,10,12H,4-5,8-9,15H2,1-3H3.
What are the key properties of 1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine?
1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine is sourced from PubChem (CID 65176238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).