4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylquinolin-2-amine

C17H23ClN2 — CID 63445993

IUPAC4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylquinolin-2-amine
SMILESCC(N(C)c1cc(CCl)c2ccccc2n1)C(C)(C)C
InChIInChI=1S/C17H23ClN2/c1-12(17(2,3)4)20(5)16-10-13(11-18)14-8-6-7-9-15(14)19-16/h6-10,12H,11H2,1-5H3
InChIKeyMGJQNBIEHIPXGM-UHFFFAOYSA-N
MW290.84 g/mol
LogP4.84
Rot. Bonds3

About 4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylquinolin-2-amine

4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylquinolin-2-amine (PubChem CID 63445993) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylquinolin-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylquinolin-2-amine
PubChem CID63445993
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC Name4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylquinolin-2-amine
SMILESCC(N(C)c1cc(CCl)c2ccccc2n1)C(C)(C)C
InChIInChI=1S/C17H23ClN2/c1-12(17(2,3)4)20(5)16-10-13(11-18)14-8-6-7-9-15(14)19-16/h6-10,12H,11H2,1-5H3
InChIKeyMGJQNBIEHIPXGM-UHFFFAOYSA-N
XLogP4.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 54.84
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 4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylquinolin-2-amine?
The IUPAC name of 4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylquinolin-2-amine (CID 63445993) is 4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylquinolin-2-amine.
What is the SMILES notation for 4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylquinolin-2-amine?
The canonical SMILES for 4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylquinolin-2-amine is CC(N(C)c1cc(CCl)c2ccccc2n1)C(C)(C)C.
What is the InChIKey of 4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylquinolin-2-amine?
The InChIKey is MGJQNBIEHIPXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c1-12(17(2,3)4)20(5)16-10-13(11-18)14-8-6-7-9-15(14)19-16/h6-10,12H,11H2,1-5H3.
What are the key properties of 4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylquinolin-2-amine?
4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylquinolin-2-amine has a molecular weight of 290.84 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylquinolin-2-amine is sourced from PubChem (CID 63445993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).