5-phenoxynaphthalen-2-amine

C16H13NO — CID 138739792

IUPAC5-phenoxynaphthalen-2-amine
SMILESNc1ccc2c(Oc3ccccc3)cccc2c1
InChIInChI=1S/C16H13NO/c17-13-9-10-15-12(11-13)5-4-8-16(15)18-14-6-2-1-3-7-14/h1-11H,17H2
InChIKeyWHAIISWIHZILCR-UHFFFAOYSA-N
MW235.29 g/mol
LogP4.21
Rot. Bonds2

About 5-phenoxynaphthalen-2-amine

5-phenoxynaphthalen-2-amine (PubChem CID 138739792) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-phenoxynaphthalen-2-amine.

Molecular Properties

Compound Name5-phenoxynaphthalen-2-amine
PubChem CID138739792
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name5-phenoxynaphthalen-2-amine
SMILESNc1ccc2c(Oc3ccccc3)cccc2c1
InChIInChI=1S/C16H13NO/c17-13-9-10-15-12(11-13)5-4-8-16(15)18-14-6-2-1-3-7-14/h1-11H,17H2
InChIKeyWHAIISWIHZILCR-UHFFFAOYSA-N
XLogP4.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-phenylmethoxynaphthalen-2-amine
CID 129054622
3-[2-(3-phenoxyphenoxy)phenoxy]aniline
CID 141038666
4-[4-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253700
3-[2-(3-aminophenoxy)phenoxy]aniline
CID 22184040
3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline
CID 66887751
2,6-dinaphthalen-1-yloxypyridin-4-amine
CID 59962167
3-[4-[2-[2-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338564
5-phenylnaphthalen-2-amine
CID 66729016
3-[2-[4-[3-[2-[3-[4-[2-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338477
3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338441
5-amino-2-naphthalen-1-yloxybenzoic acid
CID 60987249
4-(3-aminophenyl)-3-phenoxyaniline
CID 68785686

Frequently Asked Questions

What is the IUPAC name of 5-phenoxynaphthalen-2-amine?
The IUPAC name of 5-phenoxynaphthalen-2-amine (CID 138739792) is 5-phenoxynaphthalen-2-amine.
What is the SMILES notation for 5-phenoxynaphthalen-2-amine?
The canonical SMILES for 5-phenoxynaphthalen-2-amine is Nc1ccc2c(Oc3ccccc3)cccc2c1.
What is the InChIKey of 5-phenoxynaphthalen-2-amine?
The InChIKey is WHAIISWIHZILCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c17-13-9-10-15-12(11-13)5-4-8-16(15)18-14-6-2-1-3-7-14/h1-11H,17H2.
What are the key properties of 5-phenoxynaphthalen-2-amine?
5-phenoxynaphthalen-2-amine has a molecular weight of 235.29 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenoxynaphthalen-2-amine is sourced from PubChem (CID 138739792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).