N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-2-methylprop-2-en-1-amine

C17H28N2O — CID 62418026

IUPACN-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)CCOc1cccc(CNCC)c1
InChIInChI=1S/C17H28N2O/c1-5-18-13-16-8-7-9-17(12-16)20-11-10-19(6-2)14-15(3)4/h7-9,12,18H,3,5-6,10-11,13-14H2,1-2,4H3
InChIKeySXCZEELYRYHATD-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.07
Rot. Bonds10

About N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-2-methylprop-2-en-1-amine

N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-2-methylprop-2-en-1-amine (PubChem CID 62418026) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-2-methylprop-2-en-1-amine
PubChem CID62418026
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)CCOc1cccc(CNCC)c1
InChIInChI=1S/C17H28N2O/c1-5-18-13-16-8-7-9-17(12-16)20-11-10-19(6-2)14-15(3)4/h7-9,12,18H,3,5-6,10-11,13-14H2,1-2,4H3
InChIKeySXCZEELYRYHATD-UHFFFAOYSA-N
XLogP3.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.07
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-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine
CID 63692328
N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849949
N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]propan-2-amine
CID 55074731
N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 62421824
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
N',N'-diethyl-N-[[3-(2-phenoxyethoxy)phenyl]methyl]ethane-1,2-diamine
CID 54803492
N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
N-[(3-ethoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 113258303
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
2-cyano-N-[[3-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide
CID 22687978
N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62419119
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-2-methylprop-2-en-1-amine (CID 62418026) is N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-2-methylprop-2-en-1-amine is C=C(C)CN(CC)CCOc1cccc(CNCC)c1.
What is the InChIKey of N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-2-methylprop-2-en-1-amine?
The InChIKey is SXCZEELYRYHATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-18-13-16-8-7-9-17(12-16)20-11-10-19(6-2)14-15(3)4/h7-9,12,18H,3,5-6,10-11,13-14H2,1-2,4H3.
What are the key properties of N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-2-methylprop-2-en-1-amine?
N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-2-methylprop-2-en-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 62418026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).