11-(1-benzofuran-7-yloxy)undecan-2-amine

C19H29NO2 — CID 70165041

IUPAC11-(1-benzofuran-7-yloxy)undecan-2-amine
SMILESCC(N)CCCCCCCCCOc1cccc2ccoc12
InChIInChI=1S/C19H29NO2/c1-16(20)10-7-5-3-2-4-6-8-14-21-18-12-9-11-17-13-15-22-19(17)18/h9,11-13,15-16H,2-8,10,14,20H2,1H3
InChIKeyAMNMSAANVBHYKK-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.28
Rot. Bonds11

About 11-(1-benzofuran-7-yloxy)undecan-2-amine

11-(1-benzofuran-7-yloxy)undecan-2-amine (PubChem CID 70165041) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 11-(1-benzofuran-7-yloxy)undecan-2-amine.

Molecular Properties

Compound Name11-(1-benzofuran-7-yloxy)undecan-2-amine
PubChem CID70165041
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name11-(1-benzofuran-7-yloxy)undecan-2-amine
SMILESCC(N)CCCCCCCCCOc1cccc2ccoc12
InChIInChI=1S/C19H29NO2/c1-16(20)10-7-5-3-2-4-6-8-14-21-18-12-9-11-17-13-15-22-19(17)18/h9,11-13,15-16H,2-8,10,14,20H2,1H3
InChIKeyAMNMSAANVBHYKK-UHFFFAOYSA-N
XLogP5.28
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.28
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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Related Compounds

11-(1-benzofuran-4-yloxy)undecan-2-amine;hydrochloride
CID 70164769
7-prop-2-ynoxy-1-benzofuran
CID 135362386
7-(1-phenylbutoxy)-1-benzofuran
CID 142187410
(2S)-2-amino-6-naphthalen-1-yloxyhexane-1-thiol
CID 87875984
8-(6-methylheptoxy)quinolin-2-amine
CID 70038087
1-benzofuran-7-yl 2,4,4-trimethyl-2-propan-2-ylpentanoate
CID 144734107
4-(2-methylquinolin-8-yl)oxybutan-2-amine
CID 43169778
1-benzofuran-7-yloxyboronic acid
CID 171573912
4-(2-propoxyphenoxy)butan-2-amine
CID 43118980
docosane-2,21-diamine
CID 150079956
1-(4-methylpentoxy)naphthalene
CID 83168126
2-(1-benzofuran-7-yloxymethyl)pyrrolidine
CID 84682714

Frequently Asked Questions

What is the IUPAC name of 11-(1-benzofuran-7-yloxy)undecan-2-amine?
The IUPAC name of 11-(1-benzofuran-7-yloxy)undecan-2-amine (CID 70165041) is 11-(1-benzofuran-7-yloxy)undecan-2-amine.
What is the SMILES notation for 11-(1-benzofuran-7-yloxy)undecan-2-amine?
The canonical SMILES for 11-(1-benzofuran-7-yloxy)undecan-2-amine is CC(N)CCCCCCCCCOc1cccc2ccoc12.
What is the InChIKey of 11-(1-benzofuran-7-yloxy)undecan-2-amine?
The InChIKey is AMNMSAANVBHYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-16(20)10-7-5-3-2-4-6-8-14-21-18-12-9-11-17-13-15-22-19(17)18/h9,11-13,15-16H,2-8,10,14,20H2,1H3.
What are the key properties of 11-(1-benzofuran-7-yloxy)undecan-2-amine?
11-(1-benzofuran-7-yloxy)undecan-2-amine has a molecular weight of 303.45 g/mol, XLogP of 5.28, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1-benzofuran-7-yloxy)undecan-2-amine is sourced from PubChem (CID 70165041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).