1-ethenyl-3-pentoxybenzene;N-ethylethanamine

C17H29NO — CID 68645274

IUPAC1-ethenyl-3-pentoxybenzene;N-ethylethanamine
SMILESC=Cc1cccc(OCCCCC)c1.CCNCC
InChIInChI=1S/C13H18O.C4H11N/c1-3-5-6-10-14-13-9-7-8-12(4-2)11-13;1-3-5-4-2/h4,7-9,11H,2-3,5-6,10H2,1H3;5H,3-4H2,1-2H3
InChIKeyOESGUZNMGWPAHE-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.51
Rot. Bonds8

About 1-ethenyl-3-pentoxybenzene;N-ethylethanamine

1-ethenyl-3-pentoxybenzene;N-ethylethanamine (PubChem CID 68645274) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-ethenyl-3-pentoxybenzene;N-ethylethanamine.

Molecular Properties

Compound Name1-ethenyl-3-pentoxybenzene;N-ethylethanamine
PubChem CID68645274
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-ethenyl-3-pentoxybenzene;N-ethylethanamine
SMILESC=Cc1cccc(OCCCCC)c1.CCNCC
InChIInChI=1S/C13H18O.C4H11N/c1-3-5-6-10-14-13-9-7-8-12(4-2)11-13;1-3-5-4-2/h4,7-9,11H,2-3,5-6,10H2,1H3;5H,3-4H2,1-2H3
InChIKeyOESGUZNMGWPAHE-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butoxy-4-ethenylbenzene;1-ethenyl-4-heptoxybenzene;1-ethenyl-3-hexoxybenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-4-nonoxybenzene;1-ethenyl-3-pentoxybenzene
CID 161207949
4-(3-ethenylphenoxy)-N,N-dipropylbutan-1-amine
CID 68645781
1-ethenyl-3-ethoxybenzene
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3-butoxybenzaldehyde;ethane
CID 91380350
1-octoxy-3-prop-2-enoxybenzene
CID 14202237
1,3-dihexadecoxybenzene
CID 12686834
butyl-[[3-(3-ethenylphenoxy)propyl-dimethylsilyl]methoxy]-dimethylsilane
CID 174111811
3-(3-ethenylphenoxy)propyl-dimethoxy-methylsilane
CID 19006582
3-(3-ethenylphenoxy)propyl-ethoxy-dimethylsilane
CID 19006567
1-ethenyl-4-henicosoxybenzene
CID 174769675
1-ethenyl-4-undecoxybenzene
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N-[3-(3-ethenylphenoxy)propyl]-N-ethyl-2-methylpropan-2-amine
CID 91335967

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-pentoxybenzene;N-ethylethanamine?
The IUPAC name of 1-ethenyl-3-pentoxybenzene;N-ethylethanamine (CID 68645274) is 1-ethenyl-3-pentoxybenzene;N-ethylethanamine.
What is the SMILES notation for 1-ethenyl-3-pentoxybenzene;N-ethylethanamine?
The canonical SMILES for 1-ethenyl-3-pentoxybenzene;N-ethylethanamine is C=Cc1cccc(OCCCCC)c1.CCNCC.
What is the InChIKey of 1-ethenyl-3-pentoxybenzene;N-ethylethanamine?
The InChIKey is OESGUZNMGWPAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.C4H11N/c1-3-5-6-10-14-13-9-7-8-12(4-2)11-13;1-3-5-4-2/h4,7-9,11H,2-3,5-6,10H2,1H3;5H,3-4H2,1-2H3.
What are the key properties of 1-ethenyl-3-pentoxybenzene;N-ethylethanamine?
1-ethenyl-3-pentoxybenzene;N-ethylethanamine has a molecular weight of 263.43 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-pentoxybenzene;N-ethylethanamine is sourced from PubChem (CID 68645274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).