1-[2-(chloromethyl)quinolin-4-yl]oxy-N,N,2-trimethylpropan-2-amine

C16H21ClN2O — CID 79680327

IUPAC1-[2-(chloromethyl)quinolin-4-yl]oxy-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)COc1cc(CCl)nc2ccccc12
InChIInChI=1S/C16H21ClN2O/c1-16(2,19(3)4)11-20-15-9-12(10-17)18-14-8-6-5-7-13(14)15/h5-9H,10-11H2,1-4H3
InChIKeyBTODOWGITYDQTD-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.69
Rot. Bonds5

About 1-[2-(chloromethyl)quinolin-4-yl]oxy-N,N,2-trimethylpropan-2-amine

1-[2-(chloromethyl)quinolin-4-yl]oxy-N,N,2-trimethylpropan-2-amine (PubChem CID 79680327) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 1-[2-(chloromethyl)quinolin-4-yl]oxy-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(chloromethyl)quinolin-4-yl]oxy-N,N,2-trimethylpropan-2-amine
PubChem CID79680327
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name1-[2-(chloromethyl)quinolin-4-yl]oxy-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)COc1cc(CCl)nc2ccccc12
InChIInChI=1S/C16H21ClN2O/c1-16(2,19(3)4)11-20-15-9-12(10-17)18-14-8-6-5-7-13(14)15/h5-9H,10-11H2,1-4H3
InChIKeyBTODOWGITYDQTD-UHFFFAOYSA-N
XLogP3.69
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(chloromethyl)quinolin-4-yl]oxy-N,N-dimethylethanamine
CID 63375545
2-(chloromethyl)-4-(3-methylbutoxy)quinoline
CID 55185069
2-(chloromethyl)-4-methoxyquinoline
CID 63375679
4-butoxy-2-(chloromethyl)quinoline
CID 63375315
2-(chloromethyl)-4-(1-phenylethoxy)quinoline
CID 63445964
2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carboxylic acid
CID 79672347
2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carbothioamide
CID 79672354
2-methyl-N-[[4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]methyl]propan-2-amine
CID 63377178
2-(chloromethyl)-4-(4-iodophenoxy)quinoline
CID 63446807
2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carbonitrile
CID 79679288
2-(chloromethyl)-4-(4,4-dimethylcyclohexyl)oxyquinoline
CID 114341778
2-(chloromethyl)-4-(2,5-dichlorophenoxy)quinoline
CID 63446146

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)quinolin-4-yl]oxy-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-[2-(chloromethyl)quinolin-4-yl]oxy-N,N,2-trimethylpropan-2-amine (CID 79680327) is 1-[2-(chloromethyl)quinolin-4-yl]oxy-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-[2-(chloromethyl)quinolin-4-yl]oxy-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-[2-(chloromethyl)quinolin-4-yl]oxy-N,N,2-trimethylpropan-2-amine is CN(C)C(C)(C)COc1cc(CCl)nc2ccccc12.
What is the InChIKey of 1-[2-(chloromethyl)quinolin-4-yl]oxy-N,N,2-trimethylpropan-2-amine?
The InChIKey is BTODOWGITYDQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-16(2,19(3)4)11-20-15-9-12(10-17)18-14-8-6-5-7-13(14)15/h5-9H,10-11H2,1-4H3.
What are the key properties of 1-[2-(chloromethyl)quinolin-4-yl]oxy-N,N,2-trimethylpropan-2-amine?
1-[2-(chloromethyl)quinolin-4-yl]oxy-N,N,2-trimethylpropan-2-amine has a molecular weight of 292.81 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)quinolin-4-yl]oxy-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 79680327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).