2-methoxy-N-[[1-(2-methoxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]ethanamine

C17H27NO2 — CID 62718320

IUPAC2-methoxy-N-[[1-(2-methoxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]ethanamine
SMILESCOCCNCC1(CCOC)CCCc2ccccc21
InChIInChI=1S/C17H27NO2/c1-19-12-10-17(14-18-11-13-20-2)9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,18H,5,7,9-14H2,1-2H3
InChIKeyROIGSFCYAKNZHL-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.53
Rot. Bonds8

About 2-methoxy-N-[[1-(2-methoxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]ethanamine

2-methoxy-N-[[1-(2-methoxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]ethanamine (PubChem CID 62718320) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2-methoxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2-methoxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]ethanamine
PubChem CID62718320
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-methoxy-N-[[1-(2-methoxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]ethanamine
SMILESCOCCNCC1(CCOC)CCCc2ccccc21
InChIInChI=1S/C17H27NO2/c1-19-12-10-17(14-18-11-13-20-2)9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,18H,5,7,9-14H2,1-2H3
InChIKeyROIGSFCYAKNZHL-UHFFFAOYSA-N
XLogP2.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.53
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2-methoxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(2-methoxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]ethanamine (CID 62718320) is 2-methoxy-N-[[1-(2-methoxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(2-methoxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(2-methoxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]ethanamine is COCCNCC1(CCOC)CCCc2ccccc21.
What is the InChIKey of 2-methoxy-N-[[1-(2-methoxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]ethanamine?
The InChIKey is ROIGSFCYAKNZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-19-12-10-17(14-18-11-13-20-2)9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,18H,5,7,9-14H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(2-methoxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]ethanamine?
2-methoxy-N-[[1-(2-methoxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(2-methoxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]ethanamine is sourced from PubChem (CID 62718320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).