3-(2-chloroethoxy)-N-(quinolin-4-ylmethyl)propan-1-amine

C15H19ClN2O — CID 114171251

IUPAC3-(2-chloroethoxy)-N-(quinolin-4-ylmethyl)propan-1-amine
SMILESClCCOCCCNCc1ccnc2ccccc12
InChIInChI=1S/C15H19ClN2O/c16-7-11-19-10-3-8-17-12-13-6-9-18-15-5-2-1-4-14(13)15/h1-2,4-6,9,17H,3,7-8,10-12H2
InChIKeyXQGPMTKHQZHBFX-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.97
Rot. Bonds8

About 3-(2-chloroethoxy)-N-(quinolin-4-ylmethyl)propan-1-amine

3-(2-chloroethoxy)-N-(quinolin-4-ylmethyl)propan-1-amine (PubChem CID 114171251) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 3-(2-chloroethoxy)-N-(quinolin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chloroethoxy)-N-(quinolin-4-ylmethyl)propan-1-amine
PubChem CID114171251
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name3-(2-chloroethoxy)-N-(quinolin-4-ylmethyl)propan-1-amine
SMILESClCCOCCCNCc1ccnc2ccccc12
InChIInChI=1S/C15H19ClN2O/c16-7-11-19-10-3-8-17-12-13-6-9-18-15-5-2-1-4-14(13)15/h1-2,4-6,9,17H,3,7-8,10-12H2
InChIKeyXQGPMTKHQZHBFX-UHFFFAOYSA-N
XLogP2.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-(quinolin-4-ylmethyl)ethanamine
CID 62543983
5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine
CID 115491467
3-(2-chloroethoxy)-N-[(2-fluorophenyl)methyl]propan-1-amine
CID 106306177
N-(quinolin-4-ylmethyl)hex-5-yn-1-amine
CID 113256049
methyl 4-(quinolin-4-ylmethylamino)butanoate
CID 63867501
1-[4-(chloromethyl)phenyl]-N-(quinolin-4-ylmethyl)methanamine
CID 107232919
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
2-pyridin-4-yl-N-(quinolin-4-ylmethyl)ethanamine
CID 63867946
1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
CID 63850221
N-methoxy-1-quinolin-4-ylmethanamine
CID 79235633
3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 63850210
N'-(7-chloroquinolin-4-yl)-N-(quinolin-4-ylmethyl)propane-1,3-diamine
CID 102583966

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethoxy)-N-(quinolin-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-(2-chloroethoxy)-N-(quinolin-4-ylmethyl)propan-1-amine (CID 114171251) is 3-(2-chloroethoxy)-N-(quinolin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(2-chloroethoxy)-N-(quinolin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(2-chloroethoxy)-N-(quinolin-4-ylmethyl)propan-1-amine is ClCCOCCCNCc1ccnc2ccccc12.
What is the InChIKey of 3-(2-chloroethoxy)-N-(quinolin-4-ylmethyl)propan-1-amine?
The InChIKey is XQGPMTKHQZHBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-7-11-19-10-3-8-17-12-13-6-9-18-15-5-2-1-4-14(13)15/h1-2,4-6,9,17H,3,7-8,10-12H2.
What are the key properties of 3-(2-chloroethoxy)-N-(quinolin-4-ylmethyl)propan-1-amine?
3-(2-chloroethoxy)-N-(quinolin-4-ylmethyl)propan-1-amine has a molecular weight of 278.78 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethoxy)-N-(quinolin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 114171251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).