6-[(3-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol

C16H19NO2 — CID 166233143

IUPAC6-[(3-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCc1ccoc1CNC1CCc2cc(O)ccc2C1
InChIInChI=1S/C16H19NO2/c1-11-6-7-19-16(11)10-17-14-4-2-13-9-15(18)5-3-12(13)8-14/h3,5-7,9,14,17-18H,2,4,8,10H2,1H3
InChIKeyTUXBUOGOJKVVJL-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.94
Rot. Bonds3

About 6-[(3-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol

6-[(3-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 166233143) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 6-[(3-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name6-[(3-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID166233143
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name6-[(3-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCc1ccoc1CNC1CCc2cc(O)ccc2C1
InChIInChI=1S/C16H19NO2/c1-11-6-7-19-16(11)10-17-14-4-2-13-9-15(18)5-3-12(13)8-14/h3,5-7,9,14,17-18H,2,4,8,10H2,1H3
InChIKeyTUXBUOGOJKVVJL-UHFFFAOYSA-N
XLogP2.94
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 6-[(3-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 166233143) is 6-[(3-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 6-[(3-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 6-[(3-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is Cc1ccoc1CNC1CCc2cc(O)ccc2C1.
What is the InChIKey of 6-[(3-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is TUXBUOGOJKVVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-6-7-19-16(11)10-17-14-4-2-13-9-15(18)5-3-12(13)8-14/h3,5-7,9,14,17-18H,2,4,8,10H2,1H3.
What are the key properties of 6-[(3-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
6-[(3-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 257.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 166233143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).