[2-[2-(2-methylpropoxy)ethoxy]quinolin-4-yl]methanamine

C16H22N2O2 — CID 106446681

IUPAC[2-[2-(2-methylpropoxy)ethoxy]quinolin-4-yl]methanamine
SMILESCC(C)COCCOc1cc(CN)c2ccccc2n1
InChIInChI=1S/C16H22N2O2/c1-12(2)11-19-7-8-20-16-9-13(10-17)14-5-3-4-6-15(14)18-16/h3-6,9,12H,7-8,10-11,17H2,1-2H3
InChIKeyCNOBNTCGMFYBAU-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.74
Rot. Bonds7

About [2-[2-(2-methylpropoxy)ethoxy]quinolin-4-yl]methanamine

[2-[2-(2-methylpropoxy)ethoxy]quinolin-4-yl]methanamine (PubChem CID 106446681) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [2-[2-(2-methylpropoxy)ethoxy]quinolin-4-yl]methanamine.

Molecular Properties

Compound Name[2-[2-(2-methylpropoxy)ethoxy]quinolin-4-yl]methanamine
PubChem CID106446681
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[2-[2-(2-methylpropoxy)ethoxy]quinolin-4-yl]methanamine
SMILESCC(C)COCCOc1cc(CN)c2ccccc2n1
InChIInChI=1S/C16H22N2O2/c1-12(2)11-19-7-8-20-16-9-13(10-17)14-5-3-4-6-15(14)18-16/h3-6,9,12H,7-8,10-11,17H2,1-2H3
InChIKeyCNOBNTCGMFYBAU-UHFFFAOYSA-N
XLogP2.74
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.74
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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Related Compounds

(2-but-2-enoxyquinolin-4-yl)methanamine
CID 76938383
[4-[2-(2-methylpropoxy)ethoxy]quinazolin-2-yl]hydrazine
CID 106451624
[2-(2-methylphenoxy)quinolin-4-yl]methanamine
CID 62296104
2-(2-methylpropoxy)quinoline-4-carbothioamide
CID 63886476
4-[2-(2-methylpropoxy)ethoxy]quinoline-3-carbonitrile
CID 106447581
2-(2-methylpropoxy)quinoline-4-carbonitrile
CID 57354646
[2-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-4-yl]methanamine
CID 116800179
[6-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]methanol
CID 106448445
[2-(3-methoxypropoxy)quinolin-4-yl]methanol
CID 59177432
4-[2-(2-methylpropoxy)ethoxy]cinnoline-3-carboxylic acid
CID 106447126
4-(aminomethyl)-N,N-dimethylquinolin-2-amine
CID 56828443
[2-(4-methylsulfanylphenoxy)quinolin-4-yl]methanamine
CID 63647372

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylpropoxy)ethoxy]quinolin-4-yl]methanamine?
The IUPAC name of [2-[2-(2-methylpropoxy)ethoxy]quinolin-4-yl]methanamine (CID 106446681) is [2-[2-(2-methylpropoxy)ethoxy]quinolin-4-yl]methanamine.
What is the SMILES notation for [2-[2-(2-methylpropoxy)ethoxy]quinolin-4-yl]methanamine?
The canonical SMILES for [2-[2-(2-methylpropoxy)ethoxy]quinolin-4-yl]methanamine is CC(C)COCCOc1cc(CN)c2ccccc2n1.
What is the InChIKey of [2-[2-(2-methylpropoxy)ethoxy]quinolin-4-yl]methanamine?
The InChIKey is CNOBNTCGMFYBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(2)11-19-7-8-20-16-9-13(10-17)14-5-3-4-6-15(14)18-16/h3-6,9,12H,7-8,10-11,17H2,1-2H3.
What are the key properties of [2-[2-(2-methylpropoxy)ethoxy]quinolin-4-yl]methanamine?
[2-[2-(2-methylpropoxy)ethoxy]quinolin-4-yl]methanamine has a molecular weight of 274.36 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylpropoxy)ethoxy]quinolin-4-yl]methanamine is sourced from PubChem (CID 106446681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).