6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,7-diol

C13H19NO2 — CID 12878351

IUPAC6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,7-diol
SMILESCC(C)NC1Cc2cccc(O)c2CC1O
InChIInChI=1S/C13H19NO2/c1-8(2)14-11-6-9-4-3-5-12(15)10(9)7-13(11)16/h3-5,8,11,13-16H,6-7H2,1-2H3
InChIKeyDXRBJONVWWDYHV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.22
Rot. Bonds2

About 6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,7-diol

6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,7-diol (PubChem CID 12878351) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,7-diol.

Molecular Properties

Compound Name6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,7-diol
PubChem CID12878351
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,7-diol
SMILESCC(C)NC1Cc2cccc(O)c2CC1O
InChIInChI=1S/C13H19NO2/c1-8(2)14-11-6-9-4-3-5-12(15)10(9)7-13(11)16/h3-5,8,11,13-16H,6-7H2,1-2H3
InChIKeyDXRBJONVWWDYHV-UHFFFAOYSA-N
XLogP1.22
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,7-diol?
The IUPAC name of 6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,7-diol (CID 12878351) is 6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,7-diol.
What is the SMILES notation for 6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,7-diol?
The canonical SMILES for 6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,7-diol is CC(C)NC1Cc2cccc(O)c2CC1O.
What is the InChIKey of 6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,7-diol?
The InChIKey is DXRBJONVWWDYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8(2)14-11-6-9-4-3-5-12(15)10(9)7-13(11)16/h3-5,8,11,13-16H,6-7H2,1-2H3.
What are the key properties of 6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,7-diol?
6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,7-diol has a molecular weight of 221.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,7-diol is sourced from PubChem (CID 12878351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).