4-ethoxynaphthalen-2-amine

C12H13NO — CID 57115135

IUPAC4-ethoxynaphthalen-2-amine
SMILESCCOc1cc(N)cc2ccccc12
InChIInChI=1S/C12H13NO/c1-2-14-12-8-10(13)7-9-5-3-4-6-11(9)12/h3-8H,2,13H2,1H3
InChIKeyBXLQIUFCQXOYMK-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.82
Rot. Bonds2

About 4-ethoxynaphthalen-2-amine

4-ethoxynaphthalen-2-amine (PubChem CID 57115135) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-ethoxynaphthalen-2-amine.

Molecular Properties

Compound Name4-ethoxynaphthalen-2-amine
PubChem CID57115135
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name4-ethoxynaphthalen-2-amine
SMILESCCOc1cc(N)cc2ccccc12
InChIInChI=1S/C12H13NO/c1-2-14-12-8-10(13)7-9-5-3-4-6-11(9)12/h3-8H,2,13H2,1H3
InChIKeyBXLQIUFCQXOYMK-UHFFFAOYSA-N
XLogP2.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.82
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

3-ethoxy-5-naphthalen-1-yloxyaniline
CID 80751912
lithium;1-ethoxynaphthalene;hydride
CID 174613942
3-chloro-4,5-diethoxyaniline
CID 13335752
2,6-dinaphthalen-1-yloxypyridin-4-amine
CID 59962167
1-[(E)-1,2-dimethoxy-2-phenylethenyl]-2,3-diethoxynaphthalene
CID 134969147
4-[(3-aminonaphthalen-1-yl)methyl]naphthalen-2-amine
CID 21280661
ethane;4-methylnaphthalen-2-amine
CID 144829259
1-ethoxyphenanthrene
CID 19828992
boric acid;9-ethoxyanthracene
CID 175362289
1,2-diethoxytetracene
CID 141276964
2-(3-aminonaphthalen-1-yl)butanoic acid
CID 67115585
4-amino-2-ethoxyphenol
CID 12856010

Frequently Asked Questions

What is the IUPAC name of 4-ethoxynaphthalen-2-amine?
The IUPAC name of 4-ethoxynaphthalen-2-amine (CID 57115135) is 4-ethoxynaphthalen-2-amine.
What is the SMILES notation for 4-ethoxynaphthalen-2-amine?
The canonical SMILES for 4-ethoxynaphthalen-2-amine is CCOc1cc(N)cc2ccccc12.
What is the InChIKey of 4-ethoxynaphthalen-2-amine?
The InChIKey is BXLQIUFCQXOYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-14-12-8-10(13)7-9-5-3-4-6-11(9)12/h3-8H,2,13H2,1H3.
What are the key properties of 4-ethoxynaphthalen-2-amine?
4-ethoxynaphthalen-2-amine has a molecular weight of 187.24 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxynaphthalen-2-amine is sourced from PubChem (CID 57115135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).