2-[2-(4-methoxyphenoxy)ethyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine

C17H27NO2 — CID 102641027

IUPAC2-[2-(4-methoxyphenoxy)ethyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
SMILESC=CC(C)(CCOc1ccc(OC)cc1)CNC(C)C
InChIInChI=1S/C17H27NO2/c1-6-17(4,13-18-14(2)3)11-12-20-16-9-7-15(19-5)8-10-16/h6-10,14,18H,1,11-13H2,2-5H3
InChIKeyPZODULWERWJDMD-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.65
Rot. Bonds9

About 2-[2-(4-methoxyphenoxy)ethyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine

2-[2-(4-methoxyphenoxy)ethyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine (PubChem CID 102641027) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenoxy)ethyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine.

Molecular Properties

Compound Name2-[2-(4-methoxyphenoxy)ethyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
PubChem CID102641027
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[2-(4-methoxyphenoxy)ethyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
SMILESC=CC(C)(CCOc1ccc(OC)cc1)CNC(C)C
InChIInChI=1S/C17H27NO2/c1-6-17(4,13-18-14(2)3)11-12-20-16-9-7-15(19-5)8-10-16/h6-10,14,18H,1,11-13H2,2-5H3
InChIKeyPZODULWERWJDMD-UHFFFAOYSA-N
XLogP3.65
TPSA30.49 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 ≤ 53.65
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

4-(4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79361726
2-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 83150831
2-[(2-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102640962
1-[2-(4-methoxyphenoxy)ethylamino]-2-methylpropane-2-thiol
CID 13049074
N-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine
CID 2280828
2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine
CID 62724275
5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpentan-1-amine
CID 106141180
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102640970
2-ethenyl-2-methyl-5-methylsulfanyl-N-propan-2-ylpentan-1-amine
CID 102641034
1-[3,3-bis(bromomethyl)-4-methylpentoxy]-4-methoxybenzene
CID 79456113
2-methyl-2-(phenylmethoxymethyl)-N-propan-2-ylbut-3-en-1-amine
CID 102940664
2-methyl-N-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-amine
CID 102640980

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenoxy)ethyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine?
The IUPAC name of 2-[2-(4-methoxyphenoxy)ethyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine (CID 102641027) is 2-[2-(4-methoxyphenoxy)ethyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine.
What is the SMILES notation for 2-[2-(4-methoxyphenoxy)ethyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine?
The canonical SMILES for 2-[2-(4-methoxyphenoxy)ethyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine is C=CC(C)(CCOc1ccc(OC)cc1)CNC(C)C.
What is the InChIKey of 2-[2-(4-methoxyphenoxy)ethyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine?
The InChIKey is PZODULWERWJDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-17(4,13-18-14(2)3)11-12-20-16-9-7-15(19-5)8-10-16/h6-10,14,18H,1,11-13H2,2-5H3.
What are the key properties of 2-[2-(4-methoxyphenoxy)ethyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine?
2-[2-(4-methoxyphenoxy)ethyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenoxy)ethyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine is sourced from PubChem (CID 102641027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).