3-(2-amino-2-methylpropyl)-5,6,7,8-tetrahydronaphthalen-2-ol

C14H21NO — CID 117313360

IUPAC3-(2-amino-2-methylpropyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC(C)(N)Cc1cc2c(cc1O)CCCC2
InChIInChI=1S/C14H21NO/c1-14(2,15)9-12-7-10-5-3-4-6-11(10)8-13(12)16/h7-8,16H,3-6,9,15H2,1-2H3
InChIKeyWPVZGFNHWUZNGR-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.55
Rot. Bonds2

About 3-(2-amino-2-methylpropyl)-5,6,7,8-tetrahydronaphthalen-2-ol

3-(2-amino-2-methylpropyl)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 117313360) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(2-amino-2-methylpropyl)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-(2-amino-2-methylpropyl)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID117313360
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(2-amino-2-methylpropyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC(C)(N)Cc1cc2c(cc1O)CCCC2
InChIInChI=1S/C14H21NO/c1-14(2,15)9-12-7-10-5-3-4-6-11(10)8-13(12)16/h7-8,16H,3-6,9,15H2,1-2H3
InChIKeyWPVZGFNHWUZNGR-UHFFFAOYSA-N
XLogP2.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-methylpropyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 3-(2-amino-2-methylpropyl)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 117313360) is 3-(2-amino-2-methylpropyl)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 3-(2-amino-2-methylpropyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 3-(2-amino-2-methylpropyl)-5,6,7,8-tetrahydronaphthalen-2-ol is CC(C)(N)Cc1cc2c(cc1O)CCCC2.
What is the InChIKey of 3-(2-amino-2-methylpropyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is WPVZGFNHWUZNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2,15)9-12-7-10-5-3-4-6-11(10)8-13(12)16/h7-8,16H,3-6,9,15H2,1-2H3.
What are the key properties of 3-(2-amino-2-methylpropyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
3-(2-amino-2-methylpropyl)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 219.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-methylpropyl)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 117313360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).