6-chloro-4,4-dimethyl-3H-quinolin-2-amine

C11H13ClN2 — CID 71682064

IUPAC6-chloro-4,4-dimethyl-3H-quinolin-2-amine
SMILESCC1(C)CC(N)=Nc2ccc(Cl)cc21
InChIInChI=1S/C11H13ClN2/c1-11(2)6-10(13)14-9-4-3-7(12)5-8(9)11/h3-5H,6H2,1-2H3,(H2,13,14)
InChIKeyUAOFFZGZTOAGTP-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.01
Rot. Bonds

About 6-chloro-4,4-dimethyl-3H-quinolin-2-amine

6-chloro-4,4-dimethyl-3H-quinolin-2-amine (PubChem CID 71682064) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 6-chloro-4,4-dimethyl-3H-quinolin-2-amine.

Molecular Properties

Compound Name6-chloro-4,4-dimethyl-3H-quinolin-2-amine
PubChem CID71682064
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name6-chloro-4,4-dimethyl-3H-quinolin-2-amine
SMILESCC1(C)CC(N)=Nc2ccc(Cl)cc21
InChIInChI=1S/C11H13ClN2/c1-11(2)6-10(13)14-9-4-3-7(12)5-8(9)11/h3-5H,6H2,1-2H3,(H2,13,14)
InChIKeyUAOFFZGZTOAGTP-UHFFFAOYSA-N
XLogP3.01
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4,4-dimethyl-3H-quinolin-2-amine?
The IUPAC name of 6-chloro-4,4-dimethyl-3H-quinolin-2-amine (CID 71682064) is 6-chloro-4,4-dimethyl-3H-quinolin-2-amine.
What is the SMILES notation for 6-chloro-4,4-dimethyl-3H-quinolin-2-amine?
The canonical SMILES for 6-chloro-4,4-dimethyl-3H-quinolin-2-amine is CC1(C)CC(N)=Nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-4,4-dimethyl-3H-quinolin-2-amine?
The InChIKey is UAOFFZGZTOAGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-11(2)6-10(13)14-9-4-3-7(12)5-8(9)11/h3-5H,6H2,1-2H3,(H2,13,14).
What are the key properties of 6-chloro-4,4-dimethyl-3H-quinolin-2-amine?
6-chloro-4,4-dimethyl-3H-quinolin-2-amine has a molecular weight of 208.69 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4,4-dimethyl-3H-quinolin-2-amine is sourced from PubChem (CID 71682064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).