2-bromo-N-ethyl-N-(quinolin-4-ylmethyl)ethanamine

C14H17BrN2 — CID 80680315

IUPAC2-bromo-N-ethyl-N-(quinolin-4-ylmethyl)ethanamine
SMILESCCN(CCBr)Cc1ccnc2ccccc12
InChIInChI=1S/C14H17BrN2/c1-2-17(10-8-15)11-12-7-9-16-14-6-4-3-5-13(12)14/h3-7,9H,2,8,10-11H2,1H3
InChIKeyBIQGHASDFHRZIK-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.45
Rot. Bonds5

About 2-bromo-N-ethyl-N-(quinolin-4-ylmethyl)ethanamine

2-bromo-N-ethyl-N-(quinolin-4-ylmethyl)ethanamine (PubChem CID 80680315) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 2-bromo-N-ethyl-N-(quinolin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-bromo-N-ethyl-N-(quinolin-4-ylmethyl)ethanamine
PubChem CID80680315
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name2-bromo-N-ethyl-N-(quinolin-4-ylmethyl)ethanamine
SMILESCCN(CCBr)Cc1ccnc2ccccc12
InChIInChI=1S/C14H17BrN2/c1-2-17(10-8-15)11-12-7-9-16-14-6-4-3-5-13(12)14/h3-7,9H,2,8,10-11H2,1H3
InChIKeyBIQGHASDFHRZIK-UHFFFAOYSA-N
XLogP3.45
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-(quinolin-4-ylmethyl)cyclobutanamine
CID 102860813
2-bromo-N-ethyl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 80679726
2,2-dimethyl-N'-propyl-N'-(quinolin-4-ylmethyl)propane-1,3-diamine
CID 79662734
N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine
CID 79234831
4-(diethylamino)-1-quinolin-4-ylbutan-2-ol
CID 79087937
3-[ethyl(quinolin-4-ylmethyl)amino]-2-methylpropanimidamide
CID 79234991
N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)propane-1,3-diamine
CID 79235712
N,N-diethyl-3-hydrazinyl-4-quinolin-4-ylbutan-1-amine
CID 105244083
2-[2,2-difluoroethyl(quinolin-4-ylmethyl)amino]ethanol
CID 107485059
N'-pentan-3-yl-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine
CID 79240886
2-methyl-2-N-propyl-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine
CID 79234896
2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid
CID 65063950

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-N-(quinolin-4-ylmethyl)ethanamine?
The IUPAC name of 2-bromo-N-ethyl-N-(quinolin-4-ylmethyl)ethanamine (CID 80680315) is 2-bromo-N-ethyl-N-(quinolin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-bromo-N-ethyl-N-(quinolin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-bromo-N-ethyl-N-(quinolin-4-ylmethyl)ethanamine is CCN(CCBr)Cc1ccnc2ccccc12.
What is the InChIKey of 2-bromo-N-ethyl-N-(quinolin-4-ylmethyl)ethanamine?
The InChIKey is BIQGHASDFHRZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-2-17(10-8-15)11-12-7-9-16-14-6-4-3-5-13(12)14/h3-7,9H,2,8,10-11H2,1H3.
What are the key properties of 2-bromo-N-ethyl-N-(quinolin-4-ylmethyl)ethanamine?
2-bromo-N-ethyl-N-(quinolin-4-ylmethyl)ethanamine has a molecular weight of 293.21 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-N-(quinolin-4-ylmethyl)ethanamine is sourced from PubChem (CID 80680315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).