N-[[3-(pent-4-enoxymethyl)phenyl]methyl]ethanamine

C15H23NO — CID 79112977

IUPACN-[[3-(pent-4-enoxymethyl)phenyl]methyl]ethanamine
SMILESC=CCCCOCc1cccc(CNCC)c1
InChIInChI=1S/C15H23NO/c1-3-5-6-10-17-13-15-9-7-8-14(11-15)12-16-4-2/h3,7-9,11,16H,1,4-6,10,12-13H2,2H3
InChIKeyCSXRHJRKIHAXPF-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.28
Rot. Bonds9

About N-[[3-(pent-4-enoxymethyl)phenyl]methyl]ethanamine

N-[[3-(pent-4-enoxymethyl)phenyl]methyl]ethanamine (PubChem CID 79112977) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[[3-(pent-4-enoxymethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(pent-4-enoxymethyl)phenyl]methyl]ethanamine
PubChem CID79112977
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[[3-(pent-4-enoxymethyl)phenyl]methyl]ethanamine
SMILESC=CCCCOCc1cccc(CNCC)c1
InChIInChI=1S/C15H23NO/c1-3-5-6-10-17-13-15-9-7-8-14(11-15)12-16-4-2/h3,7-9,11,16H,1,4-6,10,12-13H2,2H3
InChIKeyCSXRHJRKIHAXPF-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[[3-(3-phenylpropoxymethyl)phenyl]methyl]ethanamine
CID 62485606
N-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine
CID 62445525
N,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine
CID 62460949
N-[[3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methyl]ethanamine
CID 106667655
N-[2-[[3-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-methylcyclopropanamine
CID 102740885
N-[(3-fluoro-4-pent-4-enoxyphenyl)methyl]ethanamine
CID 107686829
N-[[3-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine
CID 82831547
N-methyl-1-[4-(pent-4-enoxymethyl)phenyl]methanamine
CID 79114272
2-methyl-N-[[3-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 62451172
N-benzyl-2-pent-4-enoxyethanamine
CID 79114606
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62445450
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665

Frequently Asked Questions

What is the IUPAC name of N-[[3-(pent-4-enoxymethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(pent-4-enoxymethyl)phenyl]methyl]ethanamine (CID 79112977) is N-[[3-(pent-4-enoxymethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(pent-4-enoxymethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(pent-4-enoxymethyl)phenyl]methyl]ethanamine is C=CCCCOCc1cccc(CNCC)c1.
What is the InChIKey of N-[[3-(pent-4-enoxymethyl)phenyl]methyl]ethanamine?
The InChIKey is CSXRHJRKIHAXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-5-6-10-17-13-15-9-7-8-14(11-15)12-16-4-2/h3,7-9,11,16H,1,4-6,10,12-13H2,2H3.
What are the key properties of N-[[3-(pent-4-enoxymethyl)phenyl]methyl]ethanamine?
N-[[3-(pent-4-enoxymethyl)phenyl]methyl]ethanamine has a molecular weight of 233.35 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(pent-4-enoxymethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 79112977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).