N-(2-chloroethyl)-N-ethyl-2-methylquinolin-4-amine

C14H17ClN2 — CID 55184235

IUPACN-(2-chloroethyl)-N-ethyl-2-methylquinolin-4-amine
SMILESCCN(CCCl)c1cc(C)nc2ccccc12
InChIInChI=1S/C14H17ClN2/c1-3-17(9-8-15)14-10-11(2)16-13-7-5-4-6-12(13)14/h4-7,10H,3,8-9H2,1-2H3
InChIKeyGNXZGQFNQJWFRW-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.61
Rot. Bonds4

About N-(2-chloroethyl)-N-ethyl-2-methylquinolin-4-amine

N-(2-chloroethyl)-N-ethyl-2-methylquinolin-4-amine (PubChem CID 55184235) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethyl-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-ethyl-2-methylquinolin-4-amine
PubChem CID55184235
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC NameN-(2-chloroethyl)-N-ethyl-2-methylquinolin-4-amine
SMILESCCN(CCCl)c1cc(C)nc2ccccc12
InChIInChI=1S/C14H17ClN2/c1-3-17(9-8-15)14-10-11(2)16-13-7-5-4-6-12(13)14/h4-7,10H,3,8-9H2,1-2H3
InChIKeyGNXZGQFNQJWFRW-UHFFFAOYSA-N
XLogP3.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.61
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-(5-chloropentyl)-N,2-dimethylquinolin-4-amine
CID 107205471
N-(2-chloroethyl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 79240137
2-[methyl-(2-methylquinolin-4-yl)amino]ethanol
CID 60716400
N-(2-chloroethyl)-N-ethyl-3-methylquinolin-2-amine
CID 63392539
6-bromo-N,N-diethyl-2-methylquinolin-4-amine
CID 110434316
N,N-dibutyl-2-(chloromethyl)quinolin-4-amine
CID 63445296
N-butyl-N-ethyl-7-methoxy-2-methylquinolin-4-amine
CID 110434237
1-[methyl-(2-methylquinolin-4-yl)amino]propan-2-ol
CID 55060878
N,N-diethyl-7-methoxy-2-methylquinolin-4-amine
CID 71151890
N-ethyl-N-propylacridin-1-amine
CID 21107283
N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine
CID 133376584
N-[(2-aminophenyl)methyl]-N,2-dimethylquinolin-4-amine
CID 60871553

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-ethyl-2-methylquinolin-4-amine?
The IUPAC name of N-(2-chloroethyl)-N-ethyl-2-methylquinolin-4-amine (CID 55184235) is N-(2-chloroethyl)-N-ethyl-2-methylquinolin-4-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-ethyl-2-methylquinolin-4-amine?
The canonical SMILES for N-(2-chloroethyl)-N-ethyl-2-methylquinolin-4-amine is CCN(CCCl)c1cc(C)nc2ccccc12.
What is the InChIKey of N-(2-chloroethyl)-N-ethyl-2-methylquinolin-4-amine?
The InChIKey is GNXZGQFNQJWFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-3-17(9-8-15)14-10-11(2)16-13-7-5-4-6-12(13)14/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-ethyl-2-methylquinolin-4-amine?
N-(2-chloroethyl)-N-ethyl-2-methylquinolin-4-amine has a molecular weight of 248.76 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-ethyl-2-methylquinolin-4-amine is sourced from PubChem (CID 55184235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).