naphthalene-2,6-diol;phenylmethanamine

C17H17NO2 — CID 11482538

IUPACnaphthalene-2,6-diol;phenylmethanamine
SMILESNCc1ccccc1.Oc1ccc2cc(O)ccc2c1
InChIInChI=1S/C10H8O2.C7H9N/c11-9-3-1-7-5-10(12)4-2-8(7)6-9;8-6-7-4-2-1-3-5-7/h1-6,11-12H;1-5H,6,8H2
InChIKeyYXVMLIABAIZUNP-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.40
Rot. Bonds1

About naphthalene-2,6-diol;phenylmethanamine

naphthalene-2,6-diol;phenylmethanamine (PubChem CID 11482538) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is naphthalene-2,6-diol;phenylmethanamine.

Molecular Properties

Compound Namenaphthalene-2,6-diol;phenylmethanamine
PubChem CID11482538
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namenaphthalene-2,6-diol;phenylmethanamine
SMILESNCc1ccccc1.Oc1ccc2cc(O)ccc2c1
InChIInChI=1S/C10H8O2.C7H9N/c11-9-3-1-7-5-10(12)4-2-8(7)6-9;8-6-7-4-2-1-3-5-7/h1-6,11-12H;1-5H,6,8H2
InChIKeyYXVMLIABAIZUNP-UHFFFAOYSA-N
XLogP3.40
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-Naphthalenol, 1-[[(phenylmethyl)imino]methyl]-
CID 511504
1-(Aminomethyl)naphthalen-2-ol
CID 241200
5-(Aminomethyl)naphthalen-2-ol
CID 44352201
1-{[Benzyl(methyl)amino]methyl}-2-naphthol
CID 577695
4,4'-(3-Amino-2-phenylprop-1-ene-1,1-diyl)diphenol
CID 15123164
1-[[3-[4-[3-[(2-Hydroxynaphthalen-1-yl)methylamino]propylamino]butylamino]propylamino]methyl]naphthalen-2-ol
CID 166631772
4-methyl-3-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenol
CID 168290606
3-methyl-4-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenol
CID 168296733
1-(Aminomethyl)naphthalen-2-ol hydrochloride
CID 2752151
1-(alpha-Aminobenzyl)-2-naphthol
CID 235836
6-Amino-5,6,7,8-tetrahydronaphthalen-2-ol hydrobromide
CID 19855464
1-((((2-Hydroxy-1-naphthyl)methylene)amino)methyl)-2-naphthol
CID 241061

Frequently Asked Questions

What is the IUPAC name of naphthalene-2,6-diol;phenylmethanamine?
The IUPAC name of naphthalene-2,6-diol;phenylmethanamine (CID 11482538) is naphthalene-2,6-diol;phenylmethanamine.
What is the SMILES notation for naphthalene-2,6-diol;phenylmethanamine?
The canonical SMILES for naphthalene-2,6-diol;phenylmethanamine is NCc1ccccc1.Oc1ccc2cc(O)ccc2c1.
What is the InChIKey of naphthalene-2,6-diol;phenylmethanamine?
The InChIKey is YXVMLIABAIZUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2.C7H9N/c11-9-3-1-7-5-10(12)4-2-8(7)6-9;8-6-7-4-2-1-3-5-7/h1-6,11-12H;1-5H,6,8H2.
What are the key properties of naphthalene-2,6-diol;phenylmethanamine?
naphthalene-2,6-diol;phenylmethanamine has a molecular weight of 267.33 g/mol, XLogP of 3.40, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2,6-diol;phenylmethanamine is sourced from PubChem (CID 11482538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).