3-(bromomethyl)-N-ethyl-N-methylquinolin-2-amine

C13H15BrN2 — CID 107079806

IUPAC3-(bromomethyl)-N-ethyl-N-methylquinolin-2-amine
SMILESCCN(C)c1nc2ccccc2cc1CBr
InChIInChI=1S/C13H15BrN2/c1-3-16(2)13-11(9-14)8-10-6-4-5-7-12(10)15-13/h4-8H,3,9H2,1-2H3
InChIKeySSPFIQOJQDKXHW-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.59
Rot. Bonds3

About 3-(bromomethyl)-N-ethyl-N-methylquinolin-2-amine

3-(bromomethyl)-N-ethyl-N-methylquinolin-2-amine (PubChem CID 107079806) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 3-(bromomethyl)-N-ethyl-N-methylquinolin-2-amine.

Molecular Properties

Compound Name3-(bromomethyl)-N-ethyl-N-methylquinolin-2-amine
PubChem CID107079806
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name3-(bromomethyl)-N-ethyl-N-methylquinolin-2-amine
SMILESCCN(C)c1nc2ccccc2cc1CBr
InChIInChI=1S/C13H15BrN2/c1-3-16(2)13-11(9-14)8-10-6-4-5-7-12(10)15-13/h4-8H,3,9H2,1-2H3
InChIKeySSPFIQOJQDKXHW-UHFFFAOYSA-N
XLogP3.59
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.59
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 3-(bromomethyl)-N-ethyl-N-methylquinolin-2-amine?
The IUPAC name of 3-(bromomethyl)-N-ethyl-N-methylquinolin-2-amine (CID 107079806) is 3-(bromomethyl)-N-ethyl-N-methylquinolin-2-amine.
What is the SMILES notation for 3-(bromomethyl)-N-ethyl-N-methylquinolin-2-amine?
The canonical SMILES for 3-(bromomethyl)-N-ethyl-N-methylquinolin-2-amine is CCN(C)c1nc2ccccc2cc1CBr.
What is the InChIKey of 3-(bromomethyl)-N-ethyl-N-methylquinolin-2-amine?
The InChIKey is SSPFIQOJQDKXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-3-16(2)13-11(9-14)8-10-6-4-5-7-12(10)15-13/h4-8H,3,9H2,1-2H3.
What are the key properties of 3-(bromomethyl)-N-ethyl-N-methylquinolin-2-amine?
3-(bromomethyl)-N-ethyl-N-methylquinolin-2-amine has a molecular weight of 279.18 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-N-ethyl-N-methylquinolin-2-amine is sourced from PubChem (CID 107079806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).