2-(chloromethyl)-N-ethyl-N-phenylquinolin-4-amine

C18H17ClN2 — CID 63445504

IUPAC2-(chloromethyl)-N-ethyl-N-phenylquinolin-4-amine
SMILESCCN(c1ccccc1)c1cc(CCl)nc2ccccc12
InChIInChI=1S/C18H17ClN2/c1-2-21(15-8-4-3-5-9-15)18-12-14(13-19)20-17-11-7-6-10-16(17)18/h3-12H,2,13H2,1H3
InChIKeyBKMYQXQJZBNIEK-UHFFFAOYSA-N
MW296.80 g/mol
LogP5.13
Rot. Bonds4

About 2-(chloromethyl)-N-ethyl-N-phenylquinolin-4-amine

2-(chloromethyl)-N-ethyl-N-phenylquinolin-4-amine (PubChem CID 63445504) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-(chloromethyl)-N-ethyl-N-phenylquinolin-4-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-ethyl-N-phenylquinolin-4-amine
PubChem CID63445504
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name2-(chloromethyl)-N-ethyl-N-phenylquinolin-4-amine
SMILESCCN(c1ccccc1)c1cc(CCl)nc2ccccc12
InChIInChI=1S/C18H17ClN2/c1-2-21(15-8-4-3-5-9-15)18-12-14(13-19)20-17-11-7-6-10-16(17)18/h3-12H,2,13H2,1H3
InChIKeyBKMYQXQJZBNIEK-UHFFFAOYSA-N
XLogP5.13
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.80
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-ethyl-N-phenylquinolin-4-amine?
The IUPAC name of 2-(chloromethyl)-N-ethyl-N-phenylquinolin-4-amine (CID 63445504) is 2-(chloromethyl)-N-ethyl-N-phenylquinolin-4-amine.
What is the SMILES notation for 2-(chloromethyl)-N-ethyl-N-phenylquinolin-4-amine?
The canonical SMILES for 2-(chloromethyl)-N-ethyl-N-phenylquinolin-4-amine is CCN(c1ccccc1)c1cc(CCl)nc2ccccc12.
What is the InChIKey of 2-(chloromethyl)-N-ethyl-N-phenylquinolin-4-amine?
The InChIKey is BKMYQXQJZBNIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-2-21(15-8-4-3-5-9-15)18-12-14(13-19)20-17-11-7-6-10-16(17)18/h3-12H,2,13H2,1H3.
What are the key properties of 2-(chloromethyl)-N-ethyl-N-phenylquinolin-4-amine?
2-(chloromethyl)-N-ethyl-N-phenylquinolin-4-amine has a molecular weight of 296.80 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-ethyl-N-phenylquinolin-4-amine is sourced from PubChem (CID 63445504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).