N-[[4-[2-(3-methylbut-3-enoxy)ethoxy]phenyl]methyl]ethanamine

C16H25NO2 — CID 114470804

IUPACN-[[4-[2-(3-methylbut-3-enoxy)ethoxy]phenyl]methyl]ethanamine
SMILESC=C(C)CCOCCOc1ccc(CNCC)cc1
InChIInChI=1S/C16H25NO2/c1-4-17-13-15-5-7-16(8-6-15)19-12-11-18-10-9-14(2)3/h5-8,17H,2,4,9-13H2,1,3H3
InChIKeyZAWOJULSTCFLQV-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.16
Rot. Bonds10

About N-[[4-[2-(3-methylbut-3-enoxy)ethoxy]phenyl]methyl]ethanamine

N-[[4-[2-(3-methylbut-3-enoxy)ethoxy]phenyl]methyl]ethanamine (PubChem CID 114470804) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[4-[2-(3-methylbut-3-enoxy)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[2-(3-methylbut-3-enoxy)ethoxy]phenyl]methyl]ethanamine
PubChem CID114470804
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[[4-[2-(3-methylbut-3-enoxy)ethoxy]phenyl]methyl]ethanamine
SMILESC=C(C)CCOCCOc1ccc(CNCC)cc1
InChIInChI=1S/C16H25NO2/c1-4-17-13-15-5-7-16(8-6-15)19-12-11-18-10-9-14(2)3/h5-8,17H,2,4,9-13H2,1,3H3
InChIKeyZAWOJULSTCFLQV-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[[4-[2-(3-methylbut-3-enoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 114470830
N-[[4-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine
CID 82959534
N-[[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]ethanamine
CID 82007121
N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 62446407
N-[[4-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 60878952
N-[[4-(4,4,4-trifluorobutoxy)phenyl]methyl]ethanamine
CID 115513082
N'-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2280740
N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]ethanamine
CID 114470778
1-[[4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol
CID 54849083
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylbutan-1-amine
CID 62420374
N-methyl-1-[4-(2-pentoxyethoxy)phenyl]methanamine
CID 62451901

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(3-methylbut-3-enoxy)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[2-(3-methylbut-3-enoxy)ethoxy]phenyl]methyl]ethanamine (CID 114470804) is N-[[4-[2-(3-methylbut-3-enoxy)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[2-(3-methylbut-3-enoxy)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[2-(3-methylbut-3-enoxy)ethoxy]phenyl]methyl]ethanamine is C=C(C)CCOCCOc1ccc(CNCC)cc1.
What is the InChIKey of N-[[4-[2-(3-methylbut-3-enoxy)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is ZAWOJULSTCFLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-17-13-15-5-7-16(8-6-15)19-12-11-18-10-9-14(2)3/h5-8,17H,2,4,9-13H2,1,3H3.
What are the key properties of N-[[4-[2-(3-methylbut-3-enoxy)ethoxy]phenyl]methyl]ethanamine?
N-[[4-[2-(3-methylbut-3-enoxy)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(3-methylbut-3-enoxy)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 114470804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).