[1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine

C16H26N2O2 — CID 103180234

IUPAC[1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine
SMILESCOCCCOCCN1c2ccccc2CCC1CN
InChIInChI=1S/C16H26N2O2/c1-19-10-4-11-20-12-9-18-15(13-17)8-7-14-5-2-3-6-16(14)18/h2-3,5-6,15H,4,7-13,17H2,1H3
InChIKeyONSJICBCSXBWJJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.82
Rot. Bonds8

About [1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine

[1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine (PubChem CID 103180234) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine
PubChem CID103180234
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine
SMILESCOCCCOCCN1c2ccccc2CCC1CN
InChIInChI=1S/C16H26N2O2/c1-19-10-4-11-20-12-9-18-15(13-17)8-7-14-5-2-3-6-16(14)18/h2-3,5-6,15H,4,7-13,17H2,1H3
InChIKeyONSJICBCSXBWJJ-UHFFFAOYSA-N
XLogP1.82
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.82
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 [1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine?
The IUPAC name of [1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine (CID 103180234) is [1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine.
What is the SMILES notation for [1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine?
The canonical SMILES for [1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine is COCCCOCCN1c2ccccc2CCC1CN.
What is the InChIKey of [1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine?
The InChIKey is ONSJICBCSXBWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-19-10-4-11-20-12-9-18-15(13-17)8-7-14-5-2-3-6-16(14)18/h2-3,5-6,15H,4,7-13,17H2,1H3.
What are the key properties of [1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine?
[1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine has a molecular weight of 278.40 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine is sourced from PubChem (CID 103180234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).