2-(aminomethyl)-7,8-dichloro-N,N-dimethylquinolin-4-amine

C12H13Cl2N3 — CID 82247413

IUPAC2-(aminomethyl)-7,8-dichloro-N,N-dimethylquinolin-4-amine
SMILESCN(C)c1cc(CN)nc2c(Cl)c(Cl)ccc12
InChIInChI=1S/C12H13Cl2N3/c1-17(2)10-5-7(6-15)16-12-8(10)3-4-9(13)11(12)14/h3-5H,6,15H2,1-2H3
InChIKeyHHLISHDAXXGILV-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.07
Rot. Bonds2

About 2-(aminomethyl)-7,8-dichloro-N,N-dimethylquinolin-4-amine

2-(aminomethyl)-7,8-dichloro-N,N-dimethylquinolin-4-amine (PubChem CID 82247413) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 2-(aminomethyl)-7,8-dichloro-N,N-dimethylquinolin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-7,8-dichloro-N,N-dimethylquinolin-4-amine
PubChem CID82247413
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name2-(aminomethyl)-7,8-dichloro-N,N-dimethylquinolin-4-amine
SMILESCN(C)c1cc(CN)nc2c(Cl)c(Cl)ccc12
InChIInChI=1S/C12H13Cl2N3/c1-17(2)10-5-7(6-15)16-12-8(10)3-4-9(13)11(12)14/h3-5H,6,15H2,1-2H3
InChIKeyHHLISHDAXXGILV-UHFFFAOYSA-N
XLogP3.07
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7,8-dichloro-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-amine
CID 82249628
1-(7,8-dichloro-4-methylquinolin-2-yl)-2-methylpropan-2-amine
CID 82577306
2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine
CID 82243092
2-(7,8-dichloro-4-methylquinolin-2-yl)acetamide
CID 82575368
7,8-dichloro-2-(methoxymethyl)-N-methylquinolin-4-amine
CID 62320254
5,8-dichloro-N,N-dimethyl-2-[2-(methylamino)ethyl]quinolin-4-amine
CID 82251986
2-(aminomethyl)-N,N-dimethyl-6-phenoxyquinolin-4-amine
CID 82251171
7,8-dichloro-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine
CID 82251998
7,8-dichloro-2-methylquinoline-4-carbaldehyde
CID 82449304
7,8-dichloro-3-ethyl-2-methylquinolin-4-amine
CID 62203586
5-chloro-N,N,8-trimethyl-2-[2-(methylamino)ethyl]quinolin-4-amine
CID 82248707
7,8-dichloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine
CID 62320255

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-7,8-dichloro-N,N-dimethylquinolin-4-amine?
The IUPAC name of 2-(aminomethyl)-7,8-dichloro-N,N-dimethylquinolin-4-amine (CID 82247413) is 2-(aminomethyl)-7,8-dichloro-N,N-dimethylquinolin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-7,8-dichloro-N,N-dimethylquinolin-4-amine?
The canonical SMILES for 2-(aminomethyl)-7,8-dichloro-N,N-dimethylquinolin-4-amine is CN(C)c1cc(CN)nc2c(Cl)c(Cl)ccc12.
What is the InChIKey of 2-(aminomethyl)-7,8-dichloro-N,N-dimethylquinolin-4-amine?
The InChIKey is HHLISHDAXXGILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-17(2)10-5-7(6-15)16-12-8(10)3-4-9(13)11(12)14/h3-5H,6,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-7,8-dichloro-N,N-dimethylquinolin-4-amine?
2-(aminomethyl)-7,8-dichloro-N,N-dimethylquinolin-4-amine has a molecular weight of 270.16 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-7,8-dichloro-N,N-dimethylquinolin-4-amine is sourced from PubChem (CID 82247413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).