4-[2-(3-methylbutoxy)ethoxy]naphthalen-1-amine

C17H23NO2 — CID 63691515

IUPAC4-[2-(3-methylbutoxy)ethoxy]naphthalen-1-amine
SMILESCC(C)CCOCCOc1ccc(N)c2ccccc12
InChIInChI=1S/C17H23NO2/c1-13(2)9-10-19-11-12-20-17-8-7-16(18)14-5-3-4-6-15(14)17/h3-8,13H,9-12,18H2,1-2H3
InChIKeyNALYXGAYKBOJFX-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.86
Rot. Bonds7

About 4-[2-(3-methylbutoxy)ethoxy]naphthalen-1-amine

4-[2-(3-methylbutoxy)ethoxy]naphthalen-1-amine (PubChem CID 63691515) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[2-(3-methylbutoxy)ethoxy]naphthalen-1-amine.

Molecular Properties

Compound Name4-[2-(3-methylbutoxy)ethoxy]naphthalen-1-amine
PubChem CID63691515
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name4-[2-(3-methylbutoxy)ethoxy]naphthalen-1-amine
SMILESCC(C)CCOCCOc1ccc(N)c2ccccc12
InChIInChI=1S/C17H23NO2/c1-13(2)9-10-19-11-12-20-17-8-7-16(18)14-5-3-4-6-15(14)17/h3-8,13H,9-12,18H2,1-2H3
InChIKeyNALYXGAYKBOJFX-UHFFFAOYSA-N
XLogP3.86
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine
CID 103177326
5-fluoro-2-[2-(3-methylbutoxy)ethoxy]aniline
CID 62368345
4-(3-methylbutoxy)naphthalene-1-sulfonamide
CID 43164550
4-(3-fluoropropoxy)naphthalen-1-amine
CID 81106275
2-[2-(3-methylbutoxy)ethoxy]-5-(trifluoromethyl)aniline
CID 82008322
4-(ethoxymethoxy)naphthalen-1-amine
CID 65364602
4-[2-(diethylamino)ethoxy]naphthalen-1-amine
CID 55228090
2-[2-(3-methylbutoxy)ethoxy]benzenecarbothioamide
CID 43291145
5-[2-(2-methylpropoxy)ethoxy]isoquinolin-8-amine
CID 106446795
6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol
CID 107702017
4-(3,3,3-trifluoropropoxy)naphthalen-1-amine
CID 64552253
5-[3-(dimethylamino)butoxy]naphthalen-1-amine
CID 82037878

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylbutoxy)ethoxy]naphthalen-1-amine?
The IUPAC name of 4-[2-(3-methylbutoxy)ethoxy]naphthalen-1-amine (CID 63691515) is 4-[2-(3-methylbutoxy)ethoxy]naphthalen-1-amine.
What is the SMILES notation for 4-[2-(3-methylbutoxy)ethoxy]naphthalen-1-amine?
The canonical SMILES for 4-[2-(3-methylbutoxy)ethoxy]naphthalen-1-amine is CC(C)CCOCCOc1ccc(N)c2ccccc12.
What is the InChIKey of 4-[2-(3-methylbutoxy)ethoxy]naphthalen-1-amine?
The InChIKey is NALYXGAYKBOJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13(2)9-10-19-11-12-20-17-8-7-16(18)14-5-3-4-6-15(14)17/h3-8,13H,9-12,18H2,1-2H3.
What are the key properties of 4-[2-(3-methylbutoxy)ethoxy]naphthalen-1-amine?
4-[2-(3-methylbutoxy)ethoxy]naphthalen-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylbutoxy)ethoxy]naphthalen-1-amine is sourced from PubChem (CID 63691515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).