2-[(2-tert-butyl-4-methoxyphenoxy)methyl]-N-ethylprop-2-en-1-amine

C17H27NO2 — CID 103066796

IUPAC2-[(2-tert-butyl-4-methoxyphenoxy)methyl]-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)COc1ccc(OC)cc1C(C)(C)C
InChIInChI=1S/C17H27NO2/c1-7-18-11-13(2)12-20-16-9-8-14(19-6)10-15(16)17(3,4)5/h8-10,18H,2,7,11-12H2,1,3-6H3
InChIKeyVXGRDPFVSIKUIP-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.54
Rot. Bonds7

About 2-[(2-tert-butyl-4-methoxyphenoxy)methyl]-N-ethylprop-2-en-1-amine

2-[(2-tert-butyl-4-methoxyphenoxy)methyl]-N-ethylprop-2-en-1-amine (PubChem CID 103066796) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[(2-tert-butyl-4-methoxyphenoxy)methyl]-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(2-tert-butyl-4-methoxyphenoxy)methyl]-N-ethylprop-2-en-1-amine
PubChem CID103066796
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[(2-tert-butyl-4-methoxyphenoxy)methyl]-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)COc1ccc(OC)cc1C(C)(C)C
InChIInChI=1S/C17H27NO2/c1-7-18-11-13(2)12-20-16-9-8-14(19-6)10-15(16)17(3,4)5/h8-10,18H,2,7,11-12H2,1,3-6H3
InChIKeyVXGRDPFVSIKUIP-UHFFFAOYSA-N
XLogP3.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.54
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

2-[(2-tert-butyl-4-methylphenoxy)methyl]-N-ethylprop-2-en-1-amine
CID 103066809
N-ethyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine
CID 103066550
potassium 3-(2-tert-butyl-4-methoxyphenoxy)prop-1-en-2-yl-trifluoroboranuide
CID 106746517
1-(2-tert-butyl-4-methoxyphenoxy)-3-(ethylamino)propan-2-ol
CID 43090696
2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide
CID 63576141
[(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 100798601
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 60879729
2-[(3,4-dimethylphenoxy)methyl]-N-ethylprop-2-en-1-amine
CID 103066619
2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopropyl-N-ethylethanamine
CID 63913135
2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]propanoic acid
CID 16642065
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 2133971
2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopentylethanone
CID 104751738

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-4-methoxyphenoxy)methyl]-N-ethylprop-2-en-1-amine?
The IUPAC name of 2-[(2-tert-butyl-4-methoxyphenoxy)methyl]-N-ethylprop-2-en-1-amine (CID 103066796) is 2-[(2-tert-butyl-4-methoxyphenoxy)methyl]-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 2-[(2-tert-butyl-4-methoxyphenoxy)methyl]-N-ethylprop-2-en-1-amine?
The canonical SMILES for 2-[(2-tert-butyl-4-methoxyphenoxy)methyl]-N-ethylprop-2-en-1-amine is C=C(CNCC)COc1ccc(OC)cc1C(C)(C)C.
What is the InChIKey of 2-[(2-tert-butyl-4-methoxyphenoxy)methyl]-N-ethylprop-2-en-1-amine?
The InChIKey is VXGRDPFVSIKUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-7-18-11-13(2)12-20-16-9-8-14(19-6)10-15(16)17(3,4)5/h8-10,18H,2,7,11-12H2,1,3-6H3.
What are the key properties of 2-[(2-tert-butyl-4-methoxyphenoxy)methyl]-N-ethylprop-2-en-1-amine?
2-[(2-tert-butyl-4-methoxyphenoxy)methyl]-N-ethylprop-2-en-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-4-methoxyphenoxy)methyl]-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 103066796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).