11-(1-benzofuran-4-yloxy)undecan-2-amine;hydrochloride

C19H30ClNO2 — CID 70164769

IUPAC11-(1-benzofuran-4-yloxy)undecan-2-amine;hydrochloride
SMILESCC(N)CCCCCCCCCOc1cccc2occc12.Cl
InChIInChI=1S/C19H29NO2.ClH/c1-16(20)10-7-5-3-2-4-6-8-14-21-18-11-9-12-19-17(18)13-15-22-19;/h9,11-13,15-16H,2-8,10,14,20H2,1H3;1H
InChIKeyDETIMMRMAGWAHU-UHFFFAOYSA-N
MW339.91 g/mol
LogP5.70
Rot. Bonds11

About 11-(1-benzofuran-4-yloxy)undecan-2-amine;hydrochloride

11-(1-benzofuran-4-yloxy)undecan-2-amine;hydrochloride (PubChem CID 70164769) has the molecular formula C19H30ClNO2 and a molecular weight of 339.91 g/mol. Its IUPAC name is 11-(1-benzofuran-4-yloxy)undecan-2-amine;hydrochloride.

Molecular Properties

Compound Name11-(1-benzofuran-4-yloxy)undecan-2-amine;hydrochloride
PubChem CID70164769
Molecular FormulaC19H30ClNO2
Molecular Weight339.91 g/mol
Exact Mass339.20
IUPAC Name11-(1-benzofuran-4-yloxy)undecan-2-amine;hydrochloride
SMILESCC(N)CCCCCCCCCOc1cccc2occc12.Cl
InChIInChI=1S/C19H29NO2.ClH/c1-16(20)10-7-5-3-2-4-6-8-14-21-18-11-9-12-19-17(18)13-15-22-19;/h9,11-13,15-16H,2-8,10,14,20H2,1H3;1H
InChIKeyDETIMMRMAGWAHU-UHFFFAOYSA-N
XLogP5.70
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.91
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-(1-benzofuran-4-yloxy)undecan-2-amine;hydrochloride?
The IUPAC name of 11-(1-benzofuran-4-yloxy)undecan-2-amine;hydrochloride (CID 70164769) is 11-(1-benzofuran-4-yloxy)undecan-2-amine;hydrochloride.
What is the SMILES notation for 11-(1-benzofuran-4-yloxy)undecan-2-amine;hydrochloride?
The canonical SMILES for 11-(1-benzofuran-4-yloxy)undecan-2-amine;hydrochloride is CC(N)CCCCCCCCCOc1cccc2occc12.Cl.
What is the InChIKey of 11-(1-benzofuran-4-yloxy)undecan-2-amine;hydrochloride?
The InChIKey is DETIMMRMAGWAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2.ClH/c1-16(20)10-7-5-3-2-4-6-8-14-21-18-11-9-12-19-17(18)13-15-22-19;/h9,11-13,15-16H,2-8,10,14,20H2,1H3;1H.
What are the key properties of 11-(1-benzofuran-4-yloxy)undecan-2-amine;hydrochloride?
11-(1-benzofuran-4-yloxy)undecan-2-amine;hydrochloride has a molecular weight of 339.91 g/mol, XLogP of 5.70, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1-benzofuran-4-yloxy)undecan-2-amine;hydrochloride is sourced from PubChem (CID 70164769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).