N-(2-methoxyethyl)-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]prop-2-en-1-amine

C16H26N2O2 — CID 103340400

IUPACN-(2-methoxyethyl)-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]prop-2-en-1-amine
SMILESC=CCN(CCOC)CCOc1cccc(CNC)c1
InChIInChI=1S/C16H26N2O2/c1-4-8-18(9-11-19-3)10-12-20-16-7-5-6-15(13-16)14-17-2/h4-7,13,17H,1,8-12,14H2,2-3H3
InChIKeyHQBXJXJHZOZIKG-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.92
Rot. Bonds11

About N-(2-methoxyethyl)-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]prop-2-en-1-amine

N-(2-methoxyethyl)-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]prop-2-en-1-amine (PubChem CID 103340400) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]prop-2-en-1-amine
PubChem CID103340400
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(2-methoxyethyl)-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]prop-2-en-1-amine
SMILESC=CCN(CCOC)CCOc1cccc(CNC)c1
InChIInChI=1S/C16H26N2O2/c1-4-8-18(9-11-19-3)10-12-20-16-7-5-6-15(13-16)14-17-2/h4-7,13,17H,1,8-12,14H2,2-3H3
InChIKeyHQBXJXJHZOZIKG-UHFFFAOYSA-N
XLogP1.92
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103340393
N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 62416994
1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103406632
1-[3-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103181050
N-methyl-1-[3-(2-pent-4-enoxyethoxy)phenyl]methanamine
CID 79112841
N-(2-methoxyethyl)-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]prop-2-en-1-amine
CID 106907286
1-[3-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 22931996
N-[2-[3-(methylaminomethyl)phenoxy]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62426299
N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 55074867
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
3-[3-(methylaminomethyl)phenoxy]propan-1-ol
CID 57355503
1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459750

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]prop-2-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]prop-2-en-1-amine (CID 103340400) is N-(2-methoxyethyl)-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]prop-2-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]prop-2-en-1-amine is C=CCN(CCOC)CCOc1cccc(CNC)c1.
What is the InChIKey of N-(2-methoxyethyl)-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]prop-2-en-1-amine?
The InChIKey is HQBXJXJHZOZIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-8-18(9-11-19-3)10-12-20-16-7-5-6-15(13-16)14-17-2/h4-7,13,17H,1,8-12,14H2,2-3H3.
What are the key properties of N-(2-methoxyethyl)-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]prop-2-en-1-amine?
N-(2-methoxyethyl)-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]prop-2-en-1-amine has a molecular weight of 278.40 g/mol, XLogP of 1.92, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]prop-2-en-1-amine is sourced from PubChem (CID 103340400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).