N-methyl-1-[3-(2-pent-4-enoxyethoxy)phenyl]methanamine

C15H23NO2 — CID 79112841

IUPACN-methyl-1-[3-(2-pent-4-enoxyethoxy)phenyl]methanamine
SMILESC=CCCCOCCOc1cccc(CNC)c1
InChIInChI=1S/C15H23NO2/c1-3-4-5-9-17-10-11-18-15-8-6-7-14(12-15)13-16-2/h3,6-8,12,16H,1,4-5,9-11,13H2,2H3
InChIKeyDBTJHPSGYWOVOQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.77
Rot. Bonds10

About N-methyl-1-[3-(2-pent-4-enoxyethoxy)phenyl]methanamine

N-methyl-1-[3-(2-pent-4-enoxyethoxy)phenyl]methanamine (PubChem CID 79112841) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-methyl-1-[3-(2-pent-4-enoxyethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-pent-4-enoxyethoxy)phenyl]methanamine
PubChem CID79112841
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-methyl-1-[3-(2-pent-4-enoxyethoxy)phenyl]methanamine
SMILESC=CCCCOCCOc1cccc(CNC)c1
InChIInChI=1S/C15H23NO2/c1-3-4-5-9-17-10-11-18-15-8-6-7-14(12-15)13-16-2/h3,6-8,12,16H,1,4-5,9-11,13H2,2H3
InChIKeyDBTJHPSGYWOVOQ-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-[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-[(3-hept-6-enoxyphenyl)methyl]-2-methylpropan-2-amine
CID 107006178
1-(bromomethyl)-3-pent-4-enoxybenzene
CID 86076126
3-[3-(methylaminomethyl)phenoxy]propan-1-ol
CID 57355503
N-methyl-1-[2-(2-pent-4-enoxyethoxy)phenyl]methanamine
CID 79114279
1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459750
6-[3-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702363
N-methyl-1-[4-(pent-4-enoxymethyl)phenyl]methanamine
CID 79114272
N-(2-methoxyethyl)-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]prop-2-en-1-amine
CID 103340400
1-methoxy-3-pent-4-enoxybenzene
CID 10750277
N-methyl-1-[3-(3-methylsulfonylpropoxy)phenyl]methanamine
CID 63191009

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-pent-4-enoxyethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-(2-pent-4-enoxyethoxy)phenyl]methanamine (CID 79112841) is N-methyl-1-[3-(2-pent-4-enoxyethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(2-pent-4-enoxyethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(2-pent-4-enoxyethoxy)phenyl]methanamine is C=CCCCOCCOc1cccc(CNC)c1.
What is the InChIKey of N-methyl-1-[3-(2-pent-4-enoxyethoxy)phenyl]methanamine?
The InChIKey is DBTJHPSGYWOVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-4-5-9-17-10-11-18-15-8-6-7-14(12-15)13-16-2/h3,6-8,12,16H,1,4-5,9-11,13H2,2H3.
What are the key properties of N-methyl-1-[3-(2-pent-4-enoxyethoxy)phenyl]methanamine?
N-methyl-1-[3-(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-[3-(2-pent-4-enoxyethoxy)phenyl]methanamine is sourced from PubChem (CID 79112841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).