(7S)-7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-ol

C11H15NO — CID 15718602

IUPAC(7S)-7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESNC[C@H]1CCc2ccc(O)cc2C1
InChIInChI=1S/C11H15NO/c12-7-8-1-2-9-3-4-11(13)6-10(9)5-8/h3-4,6,8,13H,1-2,5,7,12H2/t8-/m0/s1
InChIKeyKOBHEEMVALUDQJ-QMMMGPOBSA-N
MW177.25 g/mol
LogP1.46
Rot. Bonds1

About (7S)-7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-ol

(7S)-7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 15718602) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (7S)-7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(7S)-7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID15718602
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(7S)-7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESNC[C@H]1CCc2ccc(O)cc2C1
InChIInChI=1S/C11H15NO/c12-7-8-1-2-9-3-4-11(13)6-10(9)5-8/h3-4,6,8,13H,1-2,5,7,12H2/t8-/m0/s1
InChIKeyKOBHEEMVALUDQJ-QMMMGPOBSA-N
XLogP1.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of (7S)-7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 15718602) is (7S)-7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (7S)-7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for (7S)-7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-ol is NC[C@H]1CCc2ccc(O)cc2C1.
What is the InChIKey of (7S)-7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is KOBHEEMVALUDQJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15NO/c12-7-8-1-2-9-3-4-11(13)6-10(9)5-8/h3-4,6,8,13H,1-2,5,7,12H2/t8-/m0/s1.
What are the key properties of (7S)-7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
(7S)-7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 177.25 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 15718602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).