1-[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]butan-2-amine

C17H27NO2 — CID 114476278

IUPAC1-[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]butan-2-amine
SMILESC=C(C)CCOc1c(CC(N)CC)cccc1OCC
InChIInChI=1S/C17H27NO2/c1-5-15(18)12-14-8-7-9-16(19-6-2)17(14)20-11-10-13(3)4/h7-9,15H,3,5-6,10-12,18H2,1-2,4H3
InChIKeyFJJCXHMPTADCOG-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.71
Rot. Bonds9

About 1-[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]butan-2-amine

1-[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]butan-2-amine (PubChem CID 114476278) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]butan-2-amine
PubChem CID114476278
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]butan-2-amine
SMILESC=C(C)CCOc1c(CC(N)CC)cccc1OCC
InChIInChI=1S/C17H27NO2/c1-5-15(18)12-14-8-7-9-16(19-6-2)17(14)20-11-10-13(3)4/h7-9,15H,3,5-6,10-12,18H2,1-2,4H3
InChIKeyFJJCXHMPTADCOG-UHFFFAOYSA-N
XLogP3.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-ethoxy-2-(2-methoxyethoxy)phenyl]butan-2-amine
CID 60907393
1-[3-ethoxy-2-(4-methoxybutoxy)phenyl]butan-2-amine
CID 104648823
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114471621
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471447
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methoxyethanamine
CID 114471622
1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]butan-2-amine
CID 61483305
1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66040201
1-[2-bromo-5-(3-methylbut-3-enoxy)phenyl]butan-2-amine
CID 114476337
1-[3-ethoxy-2-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60907517
3-[2-(2-aminobutyl)phenoxy]propanamide
CID 60907585
2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol
CID 170893212
2-amino-3-(2,3-diethoxyphenyl)propanoic acid
CID 170879597

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]butan-2-amine (CID 114476278) is 1-[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]butan-2-amine is C=C(C)CCOc1c(CC(N)CC)cccc1OCC.
What is the InChIKey of 1-[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]butan-2-amine?
The InChIKey is FJJCXHMPTADCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-15(18)12-14-8-7-9-16(19-6-2)17(14)20-11-10-13(3)4/h7-9,15H,3,5-6,10-12,18H2,1-2,4H3.
What are the key properties of 1-[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]butan-2-amine?
1-[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]butan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]butan-2-amine is sourced from PubChem (CID 114476278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).