1-(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)ethanamine

C15H19ClN2 — CID 82449539

IUPAC1-(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)ethanamine
SMILESCc1c(Cl)ccc2c(C(C)N)cc(C(C)C)nc12
InChIInChI=1S/C15H19ClN2/c1-8(2)14-7-12(10(4)17)11-5-6-13(16)9(3)15(11)18-14/h5-8,10H,17H2,1-4H3
InChIKeySBGPJFMQDWWQBF-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.34
Rot. Bonds2

About 1-(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)ethanamine

1-(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)ethanamine (PubChem CID 82449539) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 1-(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)ethanamine.

Molecular Properties

Compound Name1-(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)ethanamine
PubChem CID82449539
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name1-(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)ethanamine
SMILESCc1c(Cl)ccc2c(C(C)N)cc(C(C)C)nc12
InChIInChI=1S/C15H19ClN2/c1-8(2)14-7-12(10(4)17)11-5-6-13(16)9(3)15(11)18-14/h5-8,10H,17H2,1-4H3
InChIKeySBGPJFMQDWWQBF-UHFFFAOYSA-N
XLogP4.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)ethanamine?
The IUPAC name of 1-(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)ethanamine (CID 82449539) is 1-(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)ethanamine.
What is the SMILES notation for 1-(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)ethanamine?
The canonical SMILES for 1-(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)ethanamine is Cc1c(Cl)ccc2c(C(C)N)cc(C(C)C)nc12.
What is the InChIKey of 1-(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)ethanamine?
The InChIKey is SBGPJFMQDWWQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-8(2)14-7-12(10(4)17)11-5-6-13(16)9(3)15(11)18-14/h5-8,10H,17H2,1-4H3.
What are the key properties of 1-(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)ethanamine?
1-(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)ethanamine has a molecular weight of 262.78 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)ethanamine is sourced from PubChem (CID 82449539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).