3-(chloromethyl)-N-methyl-N-(2-methylbutyl)quinolin-2-amine

C16H21ClN2 — CID 43296074

IUPAC3-(chloromethyl)-N-methyl-N-(2-methylbutyl)quinolin-2-amine
SMILESCCC(C)CN(C)c1nc2ccccc2cc1CCl
InChIInChI=1S/C16H21ClN2/c1-4-12(2)11-19(3)16-14(10-17)9-13-7-5-6-8-15(13)18-16/h5-9,12H,4,10-11H2,1-3H3
InChIKeyUSLDWFTXCDIUTL-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.46
Rot. Bonds5

About 3-(chloromethyl)-N-methyl-N-(2-methylbutyl)quinolin-2-amine

3-(chloromethyl)-N-methyl-N-(2-methylbutyl)quinolin-2-amine (PubChem CID 43296074) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 3-(chloromethyl)-N-methyl-N-(2-methylbutyl)quinolin-2-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N-methyl-N-(2-methylbutyl)quinolin-2-amine
PubChem CID43296074
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name3-(chloromethyl)-N-methyl-N-(2-methylbutyl)quinolin-2-amine
SMILESCCC(C)CN(C)c1nc2ccccc2cc1CCl
InChIInChI=1S/C16H21ClN2/c1-4-12(2)11-19(3)16-14(10-17)9-13-7-5-6-8-15(13)18-16/h5-9,12H,4,10-11H2,1-3H3
InChIKeyUSLDWFTXCDIUTL-UHFFFAOYSA-N
XLogP4.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.46
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

Quipazine
CID 5011
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
N-Methylquipazine
CID 5013
6-(4-Methyl-piperazin-1-yl)-phenanthridine
CID 9993659
2-(4-Propyl-piperazin-1-yl)-quinoline
CID 11370427
4-Methylquinolin-2-amine
CID 231935
N,N-dimethylquinolin-2-amine
CID 588801
2-[4-(1-Ethyl-propyl)-piperazin-1-yl]-quinoline
CID 11314275
2-(4-Cyclopropyl-piperazin-1-yl)-quinoline
CID 11324846
2-(4-Cyclopentylpiperazin-1-yl)quinoline
CID 11337173
2-(4-Isopropyl-piperazin-1-yl)-quinoline
CID 11393294

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-methyl-N-(2-methylbutyl)quinolin-2-amine?
The IUPAC name of 3-(chloromethyl)-N-methyl-N-(2-methylbutyl)quinolin-2-amine (CID 43296074) is 3-(chloromethyl)-N-methyl-N-(2-methylbutyl)quinolin-2-amine.
What is the SMILES notation for 3-(chloromethyl)-N-methyl-N-(2-methylbutyl)quinolin-2-amine?
The canonical SMILES for 3-(chloromethyl)-N-methyl-N-(2-methylbutyl)quinolin-2-amine is CCC(C)CN(C)c1nc2ccccc2cc1CCl.
What is the InChIKey of 3-(chloromethyl)-N-methyl-N-(2-methylbutyl)quinolin-2-amine?
The InChIKey is USLDWFTXCDIUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-4-12(2)11-19(3)16-14(10-17)9-13-7-5-6-8-15(13)18-16/h5-9,12H,4,10-11H2,1-3H3.
What are the key properties of 3-(chloromethyl)-N-methyl-N-(2-methylbutyl)quinolin-2-amine?
3-(chloromethyl)-N-methyl-N-(2-methylbutyl)quinolin-2-amine has a molecular weight of 276.81 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-methyl-N-(2-methylbutyl)quinolin-2-amine is sourced from PubChem (CID 43296074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).