2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine

C17H23NO2 — CID 106455544

IUPAC2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine
SMILESCCCOCCOc1ccc2ccccc2c1CCN
InChIInChI=1S/C17H23NO2/c1-2-11-19-12-13-20-17-8-7-14-5-3-4-6-15(14)16(17)9-10-18/h3-8H,2,9-13,18H2,1H3
InChIKeyFQNGCAMMPFVUDZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.15
Rot. Bonds8

About 2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine

2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine (PubChem CID 106455544) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine
PubChem CID106455544
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine
SMILESCCCOCCOc1ccc2ccccc2c1CCN
InChIInChI=1S/C17H23NO2/c1-2-11-19-12-13-20-17-8-7-14-5-3-4-6-15(14)16(17)9-10-18/h3-8H,2,9-13,18H2,1H3
InChIKeyFQNGCAMMPFVUDZ-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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

[2-(2-propoxyethoxy)naphthalen-1-yl]methanol
CID 106453720
2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]naphthalen-1-yl]ethanamine
CID 115943256
3-(2-butoxynaphthalen-1-yl)propan-1-amine
CID 170867884
1-bromo-2-(2-propoxyethoxy)naphthalene
CID 106452980
1-ethyl-2-propoxynaphthalene
CID 129259410
2-(2-phenylmethoxynaphthalen-1-yl)ethanamine
CID 60905443
2-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]ethanamine
CID 54930367
[2-(2-propoxyethoxy)naphthalen-1-yl]boronic acid
CID 106454176
2-[2-(cyclopropylmethoxy)naphthalen-1-yl]ethanamine
CID 54930636
2-[2-(2-bromoprop-2-enoxy)naphthalen-1-yl]ethanamine
CID 54930321
2-[2-[1-(ethylaminomethyl)naphthalen-2-yl]oxyethoxy]ethanol
CID 61070673
3-butoxy-N-[(2-propoxynaphthalen-1-yl)methyl]propan-1-amine
CID 29225674

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine?
The IUPAC name of 2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine (CID 106455544) is 2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine?
The canonical SMILES for 2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine is CCCOCCOc1ccc2ccccc2c1CCN.
What is the InChIKey of 2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine?
The InChIKey is FQNGCAMMPFVUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-11-19-12-13-20-17-8-7-14-5-3-4-6-15(14)16(17)9-10-18/h3-8H,2,9-13,18H2,1H3.
What are the key properties of 2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine?
2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine is sourced from PubChem (CID 106455544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).