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

C16H19NO2 — CID 62522817

IUPAC5-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCc1ccc(CNC2CCCc3cc(O)ccc32)o1
InChIInChI=1S/C16H19NO2/c1-11-5-7-14(19-11)10-17-16-4-2-3-12-9-13(18)6-8-15(12)16/h5-9,16-18H,2-4,10H2,1H3
InChIKeyWYBZIPSVJIYNLW-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.46
Rot. Bonds3

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

5-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 62522817) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 5-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID62522817
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name5-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCc1ccc(CNC2CCCc3cc(O)ccc32)o1
InChIInChI=1S/C16H19NO2/c1-11-5-7-14(19-11)10-17-16-4-2-3-12-9-13(18)6-8-15(12)16/h5-9,16-18H,2-4,10H2,1H3
InChIKeyWYBZIPSVJIYNLW-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 5-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 62522817) is 5-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is Cc1ccc(CNC2CCCc3cc(O)ccc32)o1.
What is the InChIKey of 5-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is WYBZIPSVJIYNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-5-7-14(19-11)10-17-16-4-2-3-12-9-13(18)6-8-15(12)16/h5-9,16-18H,2-4,10H2,1H3.
What are the key properties of 5-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
5-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 257.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 62522817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).