1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanamine

C14H21NO — CID 114471489

IUPAC1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanamine
SMILESC=C(C)CCOc1ccc(C)cc1C(C)N
InChIInChI=1S/C14H21NO/c1-10(2)7-8-16-14-6-5-11(3)9-13(14)12(4)15/h5-6,9,12H,1,7-8,15H2,2-4H3
InChIKeyGFJMZGFLCWCBPZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.36
Rot. Bonds5

About 1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanamine

1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanamine (PubChem CID 114471489) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanamine
PubChem CID114471489
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanamine
SMILESC=C(C)CCOc1ccc(C)cc1C(C)N
InChIInChI=1S/C14H21NO/c1-10(2)7-8-16-14-6-5-11(3)9-13(14)12(4)15/h5-6,9,12H,1,7-8,15H2,2-4H3
InChIKeyGFJMZGFLCWCBPZ-UHFFFAOYSA-N
XLogP3.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[5-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60889792
1-[5-chloro-2-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114471550
methyl 3-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]propanoate
CID 78955036
(1S)-1-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]ethanamine
CID 78936500
6-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]hexan-1-ol
CID 107702679
N-[1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethyl]propan-1-amine
CID 114471492
1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine
CID 43504992
1-[4-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanol
CID 114472830
(1S)-1-[2-(3-fluoropropoxy)-5-methylphenyl]ethanamine
CID 81106656
(1S)-1-[5-methyl-2-(2-methylsulfanylethoxy)phenyl]ethanamine
CID 104863256
(1S)-1-[4-bromo-2-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 102947179
4-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]butanenitrile
CID 78936428

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanamine?
The IUPAC name of 1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanamine (CID 114471489) is 1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanamine?
The canonical SMILES for 1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanamine is C=C(C)CCOc1ccc(C)cc1C(C)N.
What is the InChIKey of 1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanamine?
The InChIKey is GFJMZGFLCWCBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(2)7-8-16-14-6-5-11(3)9-13(14)12(4)15/h5-6,9,12H,1,7-8,15H2,2-4H3.
What are the key properties of 1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanamine?
1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanamine is sourced from PubChem (CID 114471489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).