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

C14H17ClN2 — CID 63392539

IUPACN-(2-chloroethyl)-N-ethyl-3-methylquinolin-2-amine
SMILESCCN(CCCl)c1nc2ccccc2cc1C
InChIInChI=1S/C14H17ClN2/c1-3-17(9-8-15)14-11(2)10-12-6-4-5-7-13(12)16-14/h4-7,10H,3,8-9H2,1-2H3
InChIKeyFFIGRMIJXFRWED-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.61
Rot. Bonds4

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

N-(2-chloroethyl)-N-ethyl-3-methylquinolin-2-amine (PubChem CID 63392539) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethyl-3-methylquinolin-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-ethyl-3-methylquinolin-2-amine
PubChem CID63392539
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC NameN-(2-chloroethyl)-N-ethyl-3-methylquinolin-2-amine
SMILESCCN(CCCl)c1nc2ccccc2cc1C
InChIInChI=1S/C14H17ClN2/c1-3-17(9-8-15)14-11(2)10-12-6-4-5-7-13(12)16-14/h4-7,10H,3,8-9H2,1-2H3
InChIKeyFFIGRMIJXFRWED-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

2-[ethyl-(3-methylquinolin-2-yl)amino]ethanol
CID 63228987
N'-ethyl-N'-(3-methylquinolin-2-yl)-N-propan-2-ylethane-1,2-diamine
CID 63229161
1-[ethyl-(3-methylquinolin-2-yl)amino]-2-methylpropan-2-ol
CID 79390559
N'-(2-aminoethyl)-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine
CID 63229201
N-(2-chloroethyl)-N-cyclopentyl-3-methylquinolin-2-amine
CID 63388883
N-(2-chloroethyl)-N-ethyl-2-methylquinolin-4-amine
CID 55184235
2-N-methyl-2-N-(3-methylquinolin-2-yl)propane-1,2-diamine
CID 104556733
2-[2-methylpropyl-(3-methylquinolin-2-yl)amino]acetic acid
CID 63229334
N',2-dimethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
CID 63228923
N'-cyclobutyl-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine
CID 102874684
3-[methyl-(3-methylquinolin-2-yl)amino]propanenitrile
CID 63229008
N,N-diethyl-3-(ethylaminomethyl)quinolin-2-amine
CID 43280352

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-ethyl-3-methylquinolin-2-amine?
The IUPAC name of N-(2-chloroethyl)-N-ethyl-3-methylquinolin-2-amine (CID 63392539) is N-(2-chloroethyl)-N-ethyl-3-methylquinolin-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-ethyl-3-methylquinolin-2-amine?
The canonical SMILES for N-(2-chloroethyl)-N-ethyl-3-methylquinolin-2-amine is CCN(CCCl)c1nc2ccccc2cc1C.
What is the InChIKey of N-(2-chloroethyl)-N-ethyl-3-methylquinolin-2-amine?
The InChIKey is FFIGRMIJXFRWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-3-17(9-8-15)14-11(2)10-12-6-4-5-7-13(12)16-14/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-ethyl-3-methylquinolin-2-amine?
N-(2-chloroethyl)-N-ethyl-3-methylquinolin-2-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-3-methylquinolin-2-amine is sourced from PubChem (CID 63392539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).