6-(6-methoxynaphthalen-2-yl)-1,3-benzodioxol-5-amine

C18H15NO3 — CID 22716426

IUPAC6-(6-methoxynaphthalen-2-yl)-1,3-benzodioxol-5-amine
SMILESCOc1ccc2cc(-c3cc4c(cc3N)OCO4)ccc2c1
InChIInChI=1S/C18H15NO3/c1-20-14-5-4-11-6-13(3-2-12(11)7-14)15-8-17-18(9-16(15)19)22-10-21-17/h2-9H,10,19H2,1H3
InChIKeyYDRIXJZUTRUNMM-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.83
Rot. Bonds2

About 6-(6-methoxynaphthalen-2-yl)-1,3-benzodioxol-5-amine

6-(6-methoxynaphthalen-2-yl)-1,3-benzodioxol-5-amine (PubChem CID 22716426) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 6-(6-methoxynaphthalen-2-yl)-1,3-benzodioxol-5-amine.

Molecular Properties

Compound Name6-(6-methoxynaphthalen-2-yl)-1,3-benzodioxol-5-amine
PubChem CID22716426
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name6-(6-methoxynaphthalen-2-yl)-1,3-benzodioxol-5-amine
SMILESCOc1ccc2cc(-c3cc4c(cc3N)OCO4)ccc2c1
InChIInChI=1S/C18H15NO3/c1-20-14-5-4-11-6-13(3-2-12(11)7-14)15-8-17-18(9-16(15)19)22-10-21-17/h2-9H,10,19H2,1H3
InChIKeyYDRIXJZUTRUNMM-UHFFFAOYSA-N
XLogP3.83
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-(7-methoxynaphthalen-2-yl)-1,3-benzodioxol-5-amine
CID 22716442
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
6,20-dimethoxy-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene
CID 162453579
methyl 6-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxylate
CID 625404
5-bromo-6-(3-methoxyphenyl)-1,3-benzodioxole
CID 172909402
5-(6-methoxynaphthalen-2-yl)-2,3-dimethylimidazol-4-amine
CID 62226138
5-(6-methoxynaphthalen-2-yl)-6-methylpyridin-2-amine
CID 79048610
4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline
CID 104781273
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 112831404
5-methoxy-2-[3-(7-methyl-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]aniline
CID 58178009
5-(6-methoxynaphthalen-2-yl)pyrimidin-2-amine
CID 122237679
2-methoxy-7-(2-phenylphenyl)naphthalene
CID 141340555

Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxynaphthalen-2-yl)-1,3-benzodioxol-5-amine?
The IUPAC name of 6-(6-methoxynaphthalen-2-yl)-1,3-benzodioxol-5-amine (CID 22716426) is 6-(6-methoxynaphthalen-2-yl)-1,3-benzodioxol-5-amine.
What is the SMILES notation for 6-(6-methoxynaphthalen-2-yl)-1,3-benzodioxol-5-amine?
The canonical SMILES for 6-(6-methoxynaphthalen-2-yl)-1,3-benzodioxol-5-amine is COc1ccc2cc(-c3cc4c(cc3N)OCO4)ccc2c1.
What is the InChIKey of 6-(6-methoxynaphthalen-2-yl)-1,3-benzodioxol-5-amine?
The InChIKey is YDRIXJZUTRUNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-20-14-5-4-11-6-13(3-2-12(11)7-14)15-8-17-18(9-16(15)19)22-10-21-17/h2-9H,10,19H2,1H3.
What are the key properties of 6-(6-methoxynaphthalen-2-yl)-1,3-benzodioxol-5-amine?
6-(6-methoxynaphthalen-2-yl)-1,3-benzodioxol-5-amine has a molecular weight of 293.32 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxynaphthalen-2-yl)-1,3-benzodioxol-5-amine is sourced from PubChem (CID 22716426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).