4-(2-methoxyethoxy)-1-naphthalen-1-ylbutan-2-amine

C17H23NO2 — CID 102927867

IUPAC4-(2-methoxyethoxy)-1-naphthalen-1-ylbutan-2-amine
SMILESCOCCOCCC(N)Cc1cccc2ccccc12
InChIInChI=1S/C17H23NO2/c1-19-11-12-20-10-9-16(18)13-15-7-4-6-14-5-2-3-8-17(14)15/h2-8,16H,9-13,18H2,1H3
InChIKeyPJKAJFHJMLZTJK-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.76
Rot. Bonds8

About 4-(2-methoxyethoxy)-1-naphthalen-1-ylbutan-2-amine

4-(2-methoxyethoxy)-1-naphthalen-1-ylbutan-2-amine (PubChem CID 102927867) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-1-naphthalen-1-ylbutan-2-amine.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-1-naphthalen-1-ylbutan-2-amine
PubChem CID102927867
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name4-(2-methoxyethoxy)-1-naphthalen-1-ylbutan-2-amine
SMILESCOCCOCCC(N)Cc1cccc2ccccc12
InChIInChI=1S/C17H23NO2/c1-19-11-12-20-10-9-16(18)13-15-7-4-6-14-5-2-3-8-17(14)15/h2-8,16H,9-13,18H2,1H3
InChIKeyPJKAJFHJMLZTJK-UHFFFAOYSA-N
XLogP2.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-1-naphthalen-1-ylbutan-2-amine
CID 61079778
1-methoxy-3-naphthalen-1-ylpropan-2-amine
CID 62603537
1-(2-bromo-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-amine
CID 102927780
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
(4S)-4-amino-5-naphthalen-1-ylpentanoic acid
CID 66644807
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
1-(2-fluoro-3-methoxyphenyl)-4-propoxybutan-2-amine
CID 105180608
1-(2-bromo-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-amine
CID 102928014
3-methoxy-1-naphthalen-1-ylbutan-2-amine
CID 79616440
N-(2-methoxyethoxy)-1-naphthalen-1-ylmethanamine
CID 82710702
3-amino-4-naphthalen-1-ylbutanoic acid
CID 53395054

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-1-naphthalen-1-ylbutan-2-amine?
The IUPAC name of 4-(2-methoxyethoxy)-1-naphthalen-1-ylbutan-2-amine (CID 102927867) is 4-(2-methoxyethoxy)-1-naphthalen-1-ylbutan-2-amine.
What is the SMILES notation for 4-(2-methoxyethoxy)-1-naphthalen-1-ylbutan-2-amine?
The canonical SMILES for 4-(2-methoxyethoxy)-1-naphthalen-1-ylbutan-2-amine is COCCOCCC(N)Cc1cccc2ccccc12.
What is the InChIKey of 4-(2-methoxyethoxy)-1-naphthalen-1-ylbutan-2-amine?
The InChIKey is PJKAJFHJMLZTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-19-11-12-20-10-9-16(18)13-15-7-4-6-14-5-2-3-8-17(14)15/h2-8,16H,9-13,18H2,1H3.
What are the key properties of 4-(2-methoxyethoxy)-1-naphthalen-1-ylbutan-2-amine?
4-(2-methoxyethoxy)-1-naphthalen-1-ylbutan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-1-naphthalen-1-ylbutan-2-amine is sourced from PubChem (CID 102927867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).