N-[(3-ethoxy-2-hept-6-enoxyphenyl)methyl]ethanamine

C18H29NO2 — CID 107006070

IUPACN-[(3-ethoxy-2-hept-6-enoxyphenyl)methyl]ethanamine
SMILESC=CCCCCCOc1c(CNCC)cccc1OCC
InChIInChI=1S/C18H29NO2/c1-4-7-8-9-10-14-21-18-16(15-19-5-2)12-11-13-17(18)20-6-3/h4,11-13,19H,1,5-10,14-15H2,2-3H3
InChIKeyLCBMHMANKIHTRU-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.32
Rot. Bonds12

About N-[(3-ethoxy-2-hept-6-enoxyphenyl)methyl]ethanamine

N-[(3-ethoxy-2-hept-6-enoxyphenyl)methyl]ethanamine (PubChem CID 107006070) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(3-ethoxy-2-hept-6-enoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethoxy-2-hept-6-enoxyphenyl)methyl]ethanamine
PubChem CID107006070
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[(3-ethoxy-2-hept-6-enoxyphenyl)methyl]ethanamine
SMILESC=CCCCCCOc1c(CNCC)cccc1OCC
InChIInChI=1S/C18H29NO2/c1-4-7-8-9-10-14-21-18-16(15-19-5-2)12-11-13-17(18)20-6-3/h4,11-13,19H,1,5-10,14-15H2,2-3H3
InChIKeyLCBMHMANKIHTRU-UHFFFAOYSA-N
XLogP4.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.32
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-[(3-bromo-2-hept-6-enoxyphenyl)methyl]ethanamine
CID 107006126
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
methyl 4-[2-ethoxy-6-(ethylaminomethyl)phenoxy]butanoate
CID 60880960
5-[2-ethoxy-6-(propylaminomethyl)phenoxy]pentan-1-ol
CID 62229697
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid
CID 102535781
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetonitrile
CID 60882840
1-[2-ethoxy-6-(ethylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 60881705
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetamide
CID 43278938
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17290759
N-[(3,5-dichloro-2-hept-6-enoxyphenyl)methyl]ethanamine
CID 107006108
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114471621
N-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine
CID 81106283

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-2-hept-6-enoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-ethoxy-2-hept-6-enoxyphenyl)methyl]ethanamine (CID 107006070) is N-[(3-ethoxy-2-hept-6-enoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethoxy-2-hept-6-enoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethoxy-2-hept-6-enoxyphenyl)methyl]ethanamine is C=CCCCCCOc1c(CNCC)cccc1OCC.
What is the InChIKey of N-[(3-ethoxy-2-hept-6-enoxyphenyl)methyl]ethanamine?
The InChIKey is LCBMHMANKIHTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-7-8-9-10-14-21-18-16(15-19-5-2)12-11-13-17(18)20-6-3/h4,11-13,19H,1,5-10,14-15H2,2-3H3.
What are the key properties of N-[(3-ethoxy-2-hept-6-enoxyphenyl)methyl]ethanamine?
N-[(3-ethoxy-2-hept-6-enoxyphenyl)methyl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 4.32, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-2-hept-6-enoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 107006070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).