N-methyl-1-[2-(2-pent-4-enoxyethoxy)phenyl]methanamine

C15H23NO2 — CID 79114279

IUPACN-methyl-1-[2-(2-pent-4-enoxyethoxy)phenyl]methanamine
SMILESC=CCCCOCCOc1ccccc1CNC
InChIInChI=1S/C15H23NO2/c1-3-4-7-10-17-11-12-18-15-9-6-5-8-14(15)13-16-2/h3,5-6,8-9,16H,1,4,7,10-13H2,2H3
InChIKeySKZUDTPGMHQAKE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.77
Rot. Bonds10

About N-methyl-1-[2-(2-pent-4-enoxyethoxy)phenyl]methanamine

N-methyl-1-[2-(2-pent-4-enoxyethoxy)phenyl]methanamine (PubChem CID 79114279) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-methyl-1-[2-(2-pent-4-enoxyethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-pent-4-enoxyethoxy)phenyl]methanamine
PubChem CID79114279
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-methyl-1-[2-(2-pent-4-enoxyethoxy)phenyl]methanamine
SMILESC=CCCCOCCOc1ccccc1CNC
InChIInChI=1S/C15H23NO2/c1-3-4-7-10-17-11-12-18-15-9-6-5-8-14(15)13-16-2/h3,5-6,8-9,16H,1,4,7,10-13H2,2H3
InChIKeySKZUDTPGMHQAKE-UHFFFAOYSA-N
XLogP2.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.77
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

1-[2-(2-but-3-enoxyethoxy)phenyl]-N-methylmethanamine
CID 62443049
N-[[2-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine
CID 62443050
N-methyl-1-[3-(2-pent-4-enoxyethoxy)phenyl]methanamine
CID 79112841
1-[2-(2-pent-4-enoxyethoxy)phenyl]ethanone
CID 79112812
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
1-ethyl-2-hept-6-enoxybenzene
CID 107010566
N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine
CID 55077796
N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 18525858
N-methyl-1-[2-[(2-prop-2-enylphenoxy)methyl]phenyl]methanamine
CID 62523589
N-methyl-1-[2-[2-(oxan-2-ylmethoxy)ethoxy]phenyl]methanamine
CID 62444128

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-pent-4-enoxyethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-[2-(2-pent-4-enoxyethoxy)phenyl]methanamine (CID 79114279) is N-methyl-1-[2-(2-pent-4-enoxyethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2-pent-4-enoxyethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2-pent-4-enoxyethoxy)phenyl]methanamine is C=CCCCOCCOc1ccccc1CNC.
What is the InChIKey of N-methyl-1-[2-(2-pent-4-enoxyethoxy)phenyl]methanamine?
The InChIKey is SKZUDTPGMHQAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-4-7-10-17-11-12-18-15-9-6-5-8-14(15)13-16-2/h3,5-6,8-9,16H,1,4,7,10-13H2,2H3.
What are the key properties of N-methyl-1-[2-(2-pent-4-enoxyethoxy)phenyl]methanamine?
N-methyl-1-[2-(2-pent-4-enoxyethoxy)phenyl]methanamine has a molecular weight of 249.35 g/mol, XLogP of 2.77, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-pent-4-enoxyethoxy)phenyl]methanamine is sourced from PubChem (CID 79114279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).