N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methoxyethanamine

C17H27NO3 — CID 114471622

IUPACN-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methoxyethanamine
SMILESC=C(C)CCOc1c(CNCCOC)cccc1OCC
InChIInChI=1S/C17H27NO3/c1-5-20-16-8-6-7-15(13-18-10-12-19-4)17(16)21-11-9-14(2)3/h6-8,18H,2,5,9-13H2,1,3-4H3
InChIKeyNPWWOUVVEFFWIS-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.17
Rot. Bonds11

About N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methoxyethanamine

N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methoxyethanamine (PubChem CID 114471622) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methoxyethanamine
PubChem CID114471622
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methoxyethanamine
SMILESC=C(C)CCOc1c(CNCCOC)cccc1OCC
InChIInChI=1S/C17H27NO3/c1-5-20-16-8-6-7-15(13-18-10-12-19-4)17(16)21-11-9-14(2)3/h6-8,18H,2,5,9-13H2,1,3-4H3
InChIKeyNPWWOUVVEFFWIS-UHFFFAOYSA-N
XLogP3.17
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine
CID 114471739
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114471621
4-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile
CID 63057649
2-methoxy-N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849799
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471447
2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine
CID 39356672
2-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid
CID 63055961
2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol
CID 43220976
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methoxyethanamine
CID 17212686
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
5-[2-ethoxy-6-(propylaminomethyl)phenoxy]pentan-1-ol
CID 62229697
methyl 4-[2-ethoxy-6-(ethylaminomethyl)phenoxy]butanoate
CID 60880960

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methoxyethanamine (CID 114471622) is N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methoxyethanamine is C=C(C)CCOc1c(CNCCOC)cccc1OCC.
What is the InChIKey of N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is NPWWOUVVEFFWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-20-16-8-6-7-15(13-18-10-12-19-4)17(16)21-11-9-14(2)3/h6-8,18H,2,5,9-13H2,1,3-4H3.
What are the key properties of N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methoxyethanamine?
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 293.41 g/mol, XLogP of 3.17, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 114471622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).