1-[2-(2-but-3-enoxyethoxy)phenyl]-N-methylmethanamine

C14H21NO2 — CID 62443049

IUPAC1-[2-(2-but-3-enoxyethoxy)phenyl]-N-methylmethanamine
SMILESC=CCCOCCOc1ccccc1CNC
InChIInChI=1S/C14H21NO2/c1-3-4-9-16-10-11-17-14-8-6-5-7-13(14)12-15-2/h3,5-8,15H,1,4,9-12H2,2H3
InChIKeySYWWCFIRBVONTF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.38
Rot. Bonds9

About 1-[2-(2-but-3-enoxyethoxy)phenyl]-N-methylmethanamine

1-[2-(2-but-3-enoxyethoxy)phenyl]-N-methylmethanamine (PubChem CID 62443049) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[2-(2-but-3-enoxyethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-but-3-enoxyethoxy)phenyl]-N-methylmethanamine
PubChem CID62443049
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[2-(2-but-3-enoxyethoxy)phenyl]-N-methylmethanamine
SMILESC=CCCOCCOc1ccccc1CNC
InChIInChI=1S/C14H21NO2/c1-3-4-9-16-10-11-17-14-8-6-5-7-13(14)12-15-2/h3,5-8,15H,1,4,9-12H2,2H3
InChIKeySYWWCFIRBVONTF-UHFFFAOYSA-N
XLogP2.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.38
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-methyl-1-[2-(2-pent-4-enoxyethoxy)phenyl]methanamine
CID 79114279
N-[[2-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine
CID 62443050
N-[[2-(2-prop-2-enoxyethoxy)phenyl]methyl]propan-2-amine
CID 62442654
1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62450311
N-methyl-1-[2-[2-(2-pyridin-2-ylethoxy)ethoxy]phenyl]methanamine
CID 62455565
2-[2-[(2-but-3-enoxyethylamino)methyl]phenoxy]acetonitrile
CID 106397256
1-(4-but-3-enoxy-3-pyridinyl)-N-methylmethanamine
CID 81254371
N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 18525858
N-methyl-1-[2-[(2-prop-2-enylphenoxy)methyl]phenyl]methanamine
CID 62523589
2-(2-but-3-enoxyphenyl)acetonitrile
CID 118308847
N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine
CID 55077796
2-but-3-enoxy-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
CID 106401757

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-but-3-enoxyethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-but-3-enoxyethoxy)phenyl]-N-methylmethanamine (CID 62443049) is 1-[2-(2-but-3-enoxyethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-but-3-enoxyethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-but-3-enoxyethoxy)phenyl]-N-methylmethanamine is C=CCCOCCOc1ccccc1CNC.
What is the InChIKey of 1-[2-(2-but-3-enoxyethoxy)phenyl]-N-methylmethanamine?
The InChIKey is SYWWCFIRBVONTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-4-9-16-10-11-17-14-8-6-5-7-13(14)12-15-2/h3,5-8,15H,1,4,9-12H2,2H3.
What are the key properties of 1-[2-(2-but-3-enoxyethoxy)phenyl]-N-methylmethanamine?
1-[2-(2-but-3-enoxyethoxy)phenyl]-N-methylmethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-but-3-enoxyethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 62443049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).