2-[2-(3-methoxypropoxy)ethoxy]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C17H27NO3 — CID 103177106

IUPAC2-[2-(3-methoxypropoxy)ethoxy]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOCCCOCCOC1CC(C)c2ccccc2C1N
InChIInChI=1S/C17H27NO3/c1-13-12-16(21-11-10-20-9-5-8-19-2)17(18)15-7-4-3-6-14(13)15/h3-4,6-7,13,16-17H,5,8-12,18H2,1-2H3
InChIKeyQWNASVVCFQKRQV-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.63
Rot. Bonds8

About 2-[2-(3-methoxypropoxy)ethoxy]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-[2-(3-methoxypropoxy)ethoxy]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 103177106) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[2-(3-methoxypropoxy)ethoxy]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-[2-(3-methoxypropoxy)ethoxy]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID103177106
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-[2-(3-methoxypropoxy)ethoxy]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOCCCOCCOC1CC(C)c2ccccc2C1N
InChIInChI=1S/C17H27NO3/c1-13-12-16(21-11-10-20-9-5-8-19-2)17(18)15-7-4-3-6-14(13)15/h3-4,6-7,13,16-17H,5,8-12,18H2,1-2H3
InChIKeyQWNASVVCFQKRQV-UHFFFAOYSA-N
XLogP2.63
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(3-methoxypropoxy)ethoxy]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-[2-(3-methoxypropoxy)ethoxy]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 103177106) is 2-[2-(3-methoxypropoxy)ethoxy]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-[2-(3-methoxypropoxy)ethoxy]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-[2-(3-methoxypropoxy)ethoxy]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is COCCCOCCOC1CC(C)c2ccccc2C1N.
What is the InChIKey of 2-[2-(3-methoxypropoxy)ethoxy]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is QWNASVVCFQKRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13-12-16(21-11-10-20-9-5-8-19-2)17(18)15-7-4-3-6-14(13)15/h3-4,6-7,13,16-17H,5,8-12,18H2,1-2H3.
What are the key properties of 2-[2-(3-methoxypropoxy)ethoxy]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-[2-(3-methoxypropoxy)ethoxy]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 293.41 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropoxy)ethoxy]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 103177106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).