N-ethyl-3-(2-propan-2-yloxyethoxymethyl)quinolin-2-amine

C17H24N2O2 — CID 62193399

IUPACN-ethyl-3-(2-propan-2-yloxyethoxymethyl)quinolin-2-amine
SMILESCCNc1nc2ccccc2cc1COCCOC(C)C
InChIInChI=1S/C17H24N2O2/c1-4-18-17-15(12-20-9-10-21-13(2)3)11-14-7-5-6-8-16(14)19-17/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,18,19)
InChIKeyCRSNOOUVYQKXFX-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.61
Rot. Bonds8

About N-ethyl-3-(2-propan-2-yloxyethoxymethyl)quinolin-2-amine

N-ethyl-3-(2-propan-2-yloxyethoxymethyl)quinolin-2-amine (PubChem CID 62193399) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-ethyl-3-(2-propan-2-yloxyethoxymethyl)quinolin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-propan-2-yloxyethoxymethyl)quinolin-2-amine
PubChem CID62193399
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-ethyl-3-(2-propan-2-yloxyethoxymethyl)quinolin-2-amine
SMILESCCNc1nc2ccccc2cc1COCCOC(C)C
InChIInChI=1S/C17H24N2O2/c1-4-18-17-15(12-20-9-10-21-13(2)3)11-14-7-5-6-8-16(14)19-17/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,18,19)
InChIKeyCRSNOOUVYQKXFX-UHFFFAOYSA-N
XLogP3.61
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.61
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 N-ethyl-3-(2-propan-2-yloxyethoxymethyl)quinolin-2-amine?
The IUPAC name of N-ethyl-3-(2-propan-2-yloxyethoxymethyl)quinolin-2-amine (CID 62193399) is N-ethyl-3-(2-propan-2-yloxyethoxymethyl)quinolin-2-amine.
What is the SMILES notation for N-ethyl-3-(2-propan-2-yloxyethoxymethyl)quinolin-2-amine?
The canonical SMILES for N-ethyl-3-(2-propan-2-yloxyethoxymethyl)quinolin-2-amine is CCNc1nc2ccccc2cc1COCCOC(C)C.
What is the InChIKey of N-ethyl-3-(2-propan-2-yloxyethoxymethyl)quinolin-2-amine?
The InChIKey is CRSNOOUVYQKXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-18-17-15(12-20-9-10-21-13(2)3)11-14-7-5-6-8-16(14)19-17/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,18,19).
What are the key properties of N-ethyl-3-(2-propan-2-yloxyethoxymethyl)quinolin-2-amine?
N-ethyl-3-(2-propan-2-yloxyethoxymethyl)quinolin-2-amine has a molecular weight of 288.39 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-propan-2-yloxyethoxymethyl)quinolin-2-amine is sourced from PubChem (CID 62193399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).