2-[2-(chloromethyl)quinolin-4-yl]oxy-N,N-dimethylethanamine

C14H17ClN2O — CID 63375545

IUPAC2-[2-(chloromethyl)quinolin-4-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(CCl)nc2ccccc12
InChIInChI=1S/C14H17ClN2O/c1-17(2)7-8-18-14-9-11(10-15)16-13-6-4-3-5-12(13)14/h3-6,9H,7-8,10H2,1-2H3
InChIKeyMMSIWUVDUBGABN-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.91
Rot. Bonds5

About 2-[2-(chloromethyl)quinolin-4-yl]oxy-N,N-dimethylethanamine

2-[2-(chloromethyl)quinolin-4-yl]oxy-N,N-dimethylethanamine (PubChem CID 63375545) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-[2-(chloromethyl)quinolin-4-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-(chloromethyl)quinolin-4-yl]oxy-N,N-dimethylethanamine
PubChem CID63375545
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-[2-(chloromethyl)quinolin-4-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(CCl)nc2ccccc12
InChIInChI=1S/C14H17ClN2O/c1-17(2)7-8-18-14-9-11(10-15)16-13-6-4-3-5-12(13)14/h3-6,9H,7-8,10H2,1-2H3
InChIKeyMMSIWUVDUBGABN-UHFFFAOYSA-N
XLogP2.91
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.91
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

4-butoxy-2-(chloromethyl)quinoline
CID 63375315
2-(chloromethyl)-4-(3-methylbutoxy)quinoline
CID 55185069
1-[2-(chloromethyl)quinolin-4-yl]oxy-N,N,2-trimethylpropan-2-amine
CID 79680327
2-(chloromethyl)-4-methoxyquinoline
CID 63375679
N,N-dimethyl-2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethanamine
CID 71734010
2-(chloromethyl)-4-(1-phenylethoxy)quinoline
CID 63445964
[4-(2-methoxyethoxy)quinolin-2-yl]methanol
CID 63376021
2-(chloromethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine
CID 81061779
(4-heptoxyquinolin-2-yl)methanamine
CID 63377719
2-(chloromethyl)-4-(4-iodophenoxy)quinoline
CID 63446807
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 2-[2-(chloromethyl)quinolin-4-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[2-(chloromethyl)quinolin-4-yl]oxy-N,N-dimethylethanamine (CID 63375545) is 2-[2-(chloromethyl)quinolin-4-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-(chloromethyl)quinolin-4-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-(chloromethyl)quinolin-4-yl]oxy-N,N-dimethylethanamine is CN(C)CCOc1cc(CCl)nc2ccccc12.
What is the InChIKey of 2-[2-(chloromethyl)quinolin-4-yl]oxy-N,N-dimethylethanamine?
The InChIKey is MMSIWUVDUBGABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-17(2)7-8-18-14-9-11(10-15)16-13-6-4-3-5-12(13)14/h3-6,9H,7-8,10H2,1-2H3.
What are the key properties of 2-[2-(chloromethyl)quinolin-4-yl]oxy-N,N-dimethylethanamine?
2-[2-(chloromethyl)quinolin-4-yl]oxy-N,N-dimethylethanamine has a molecular weight of 264.76 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)quinolin-4-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 63375545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).