8-(aminomethyl)-8-methoxy-6,7-dihydro-5H-naphthalen-2-ol

C12H17NO2 — CID 105460560

IUPAC8-(aminomethyl)-8-methoxy-6,7-dihydro-5H-naphthalen-2-ol
SMILESCOC1(CN)CCCc2ccc(O)cc21
InChIInChI=1S/C12H17NO2/c1-15-12(8-13)6-2-3-9-4-5-10(14)7-11(9)12/h4-5,7,14H,2-3,6,8,13H2,1H3
InChIKeyBNJQNYZMKHFKJJ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.53
Rot. Bonds2

About 8-(aminomethyl)-8-methoxy-6,7-dihydro-5H-naphthalen-2-ol

8-(aminomethyl)-8-methoxy-6,7-dihydro-5H-naphthalen-2-ol (PubChem CID 105460560) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 8-(aminomethyl)-8-methoxy-6,7-dihydro-5H-naphthalen-2-ol.

Molecular Properties

Compound Name8-(aminomethyl)-8-methoxy-6,7-dihydro-5H-naphthalen-2-ol
PubChem CID105460560
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name8-(aminomethyl)-8-methoxy-6,7-dihydro-5H-naphthalen-2-ol
SMILESCOC1(CN)CCCc2ccc(O)cc21
InChIInChI=1S/C12H17NO2/c1-15-12(8-13)6-2-3-9-4-5-10(14)7-11(9)12/h4-5,7,14H,2-3,6,8,13H2,1H3
InChIKeyBNJQNYZMKHFKJJ-UHFFFAOYSA-N
XLogP1.53
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-8-methoxy-6,7-dihydro-5H-naphthalen-2-ol?
The IUPAC name of 8-(aminomethyl)-8-methoxy-6,7-dihydro-5H-naphthalen-2-ol (CID 105460560) is 8-(aminomethyl)-8-methoxy-6,7-dihydro-5H-naphthalen-2-ol.
What is the SMILES notation for 8-(aminomethyl)-8-methoxy-6,7-dihydro-5H-naphthalen-2-ol?
The canonical SMILES for 8-(aminomethyl)-8-methoxy-6,7-dihydro-5H-naphthalen-2-ol is COC1(CN)CCCc2ccc(O)cc21.
What is the InChIKey of 8-(aminomethyl)-8-methoxy-6,7-dihydro-5H-naphthalen-2-ol?
The InChIKey is BNJQNYZMKHFKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-15-12(8-13)6-2-3-9-4-5-10(14)7-11(9)12/h4-5,7,14H,2-3,6,8,13H2,1H3.
What are the key properties of 8-(aminomethyl)-8-methoxy-6,7-dihydro-5H-naphthalen-2-ol?
8-(aminomethyl)-8-methoxy-6,7-dihydro-5H-naphthalen-2-ol has a molecular weight of 207.27 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-8-methoxy-6,7-dihydro-5H-naphthalen-2-ol is sourced from PubChem (CID 105460560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).