2-(ethylamino)-3-methyl-1-[4-(2-methylprop-2-enoxy)phenyl]butan-1-ol

C17H27NO2 — CID 82314724

IUPAC2-(ethylamino)-3-methyl-1-[4-(2-methylprop-2-enoxy)phenyl]butan-1-ol
SMILESC=C(C)COc1ccc(C(O)C(NCC)C(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-6-18-16(13(4)5)17(19)14-7-9-15(10-8-14)20-11-12(2)3/h7-10,13,16-19H,2,6,11H2,1,3-5H3
InChIKeyUZDVJHDNKVSFDA-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.31
Rot. Bonds8

About 2-(ethylamino)-3-methyl-1-[4-(2-methylprop-2-enoxy)phenyl]butan-1-ol

2-(ethylamino)-3-methyl-1-[4-(2-methylprop-2-enoxy)phenyl]butan-1-ol (PubChem CID 82314724) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(ethylamino)-3-methyl-1-[4-(2-methylprop-2-enoxy)phenyl]butan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-3-methyl-1-[4-(2-methylprop-2-enoxy)phenyl]butan-1-ol
PubChem CID82314724
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(ethylamino)-3-methyl-1-[4-(2-methylprop-2-enoxy)phenyl]butan-1-ol
SMILESC=C(C)COc1ccc(C(O)C(NCC)C(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-6-18-16(13(4)5)17(19)14-7-9-15(10-8-14)20-11-12(2)3/h7-10,13,16-19H,2,6,11H2,1,3-5H3
InChIKeyUZDVJHDNKVSFDA-UHFFFAOYSA-N
XLogP3.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-3-methyl-1-(4-methylphenyl)butan-1-ol
CID 82312422
1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82314062
1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)-3-methylbutan-1-ol
CID 82314059
2-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-3-amine
CID 79299162
1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol
CID 82316344
3-[4-(2-methylprop-2-enoxy)phenyl]butanoic acid
CID 83970856
methyl 4-hydroxy-4-[4-(2-methylprop-2-enoxy)phenyl]butanoate
CID 82347062
1-[[4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol
CID 54849083
1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039267
1-[4-(2-methylprop-2-enoxy)phenyl]-N-propan-2-ylpropan-2-amine
CID 82262496
(1S)-1-[4-(2-chloroprop-2-enoxy)phenyl]ethanol
CID 78930519
3-methyl-1-(4-propoxyphenyl)butane-1,2-diol
CID 103456682

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-methyl-1-[4-(2-methylprop-2-enoxy)phenyl]butan-1-ol?
The IUPAC name of 2-(ethylamino)-3-methyl-1-[4-(2-methylprop-2-enoxy)phenyl]butan-1-ol (CID 82314724) is 2-(ethylamino)-3-methyl-1-[4-(2-methylprop-2-enoxy)phenyl]butan-1-ol.
What is the SMILES notation for 2-(ethylamino)-3-methyl-1-[4-(2-methylprop-2-enoxy)phenyl]butan-1-ol?
The canonical SMILES for 2-(ethylamino)-3-methyl-1-[4-(2-methylprop-2-enoxy)phenyl]butan-1-ol is C=C(C)COc1ccc(C(O)C(NCC)C(C)C)cc1.
What is the InChIKey of 2-(ethylamino)-3-methyl-1-[4-(2-methylprop-2-enoxy)phenyl]butan-1-ol?
The InChIKey is UZDVJHDNKVSFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-18-16(13(4)5)17(19)14-7-9-15(10-8-14)20-11-12(2)3/h7-10,13,16-19H,2,6,11H2,1,3-5H3.
What are the key properties of 2-(ethylamino)-3-methyl-1-[4-(2-methylprop-2-enoxy)phenyl]butan-1-ol?
2-(ethylamino)-3-methyl-1-[4-(2-methylprop-2-enoxy)phenyl]butan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-methyl-1-[4-(2-methylprop-2-enoxy)phenyl]butan-1-ol is sourced from PubChem (CID 82314724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).