1-(2-aminopropan-2-yl)naphthalene-2,7-diol

C13H15NO2 — CID 117309315

IUPAC1-(2-aminopropan-2-yl)naphthalene-2,7-diol
SMILESCC(C)(N)c1c(O)ccc2ccc(O)cc12
InChIInChI=1S/C13H15NO2/c1-13(2,14)12-10-7-9(15)5-3-8(10)4-6-11(12)16/h3-7,15-16H,14H2,1-2H3
InChIKeyMWVBGZFDOPCWLG-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.44
Rot. Bonds1

About 1-(2-aminopropan-2-yl)naphthalene-2,7-diol

1-(2-aminopropan-2-yl)naphthalene-2,7-diol (PubChem CID 117309315) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(2-aminopropan-2-yl)naphthalene-2,7-diol.

Molecular Properties

Compound Name1-(2-aminopropan-2-yl)naphthalene-2,7-diol
PubChem CID117309315
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-(2-aminopropan-2-yl)naphthalene-2,7-diol
SMILESCC(C)(N)c1c(O)ccc2ccc(O)cc12
InChIInChI=1S/C13H15NO2/c1-13(2,14)12-10-7-9(15)5-3-8(10)4-6-11(12)16/h3-7,15-16H,14H2,1-2H3
InChIKeyMWVBGZFDOPCWLG-UHFFFAOYSA-N
XLogP2.44
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,7-dihydroxynaphthalen-1-yl)butan-2-yl]naphthalene-2,7-diol
CID 23054353
1-(2,7-dihydroxynaphthalen-1-yl)naphthalene-2,7-diol
CID 11415880
1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol
CID 13354439
1-[1-(7-hydroxynaphthalen-1-yl)-1-(4-phenylphenyl)ethyl]naphthalene-2,7-diol
CID 134202853
1-(2,7-dihydroxynaphthalen-1-yl)oxynaphthalene-2,7-diol
CID 146469077
2-[(2S)-2-amino-1-hydroxypropan-2-yl]benzene-1,4-diol
CID 130682329
1-phenylnaphthalene-2,7-diol
CID 118054370
7-(2-aminopropan-2-yl)naphthalen-1-ol
CID 105453666
1-(2,5-dihydroxyphenyl)naphthalene-2,7-diol
CID 121311364
1-[2-(3,8-dihydroxy-2-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)propan-2-yl]naphthalene-2,6-diol
CID 166761341
8-aminonaphthalen-2-ol;ethane
CID 91086643
1-(3-amino-1,2-oxazol-5-yl)naphthalene-2,7-diol
CID 136952337

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropan-2-yl)naphthalene-2,7-diol?
The IUPAC name of 1-(2-aminopropan-2-yl)naphthalene-2,7-diol (CID 117309315) is 1-(2-aminopropan-2-yl)naphthalene-2,7-diol.
What is the SMILES notation for 1-(2-aminopropan-2-yl)naphthalene-2,7-diol?
The canonical SMILES for 1-(2-aminopropan-2-yl)naphthalene-2,7-diol is CC(C)(N)c1c(O)ccc2ccc(O)cc12.
What is the InChIKey of 1-(2-aminopropan-2-yl)naphthalene-2,7-diol?
The InChIKey is MWVBGZFDOPCWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-13(2,14)12-10-7-9(15)5-3-8(10)4-6-11(12)16/h3-7,15-16H,14H2,1-2H3.
What are the key properties of 1-(2-aminopropan-2-yl)naphthalene-2,7-diol?
1-(2-aminopropan-2-yl)naphthalene-2,7-diol has a molecular weight of 217.27 g/mol, XLogP of 2.44, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropan-2-yl)naphthalene-2,7-diol is sourced from PubChem (CID 117309315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).