N-(2-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine

C17H20N2O — CID 81214445

IUPACN-(2-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine
SMILESCOc1ccccc1N(C)c1cccc2c1CCCN2
InChIInChI=1S/C17H20N2O/c1-19(16-9-3-4-11-17(16)20-2)15-10-5-8-14-13(15)7-6-12-18-14/h3-5,8-11,18H,6-7,12H2,1-2H3
InChIKeyVGMFCACJXWJSRJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.82
Rot. Bonds3

About N-(2-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine

N-(2-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine (PubChem CID 81214445) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine
PubChem CID81214445
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(2-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine
SMILESCOc1ccccc1N(C)c1cccc2c1CCCN2
InChIInChI=1S/C17H20N2O/c1-19(16-9-3-4-11-17(16)20-2)15-10-5-8-14-13(15)7-6-12-18-14/h3-5,8-11,18H,6-7,12H2,1-2H3
InChIKeyVGMFCACJXWJSRJ-UHFFFAOYSA-N
XLogP3.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine?
The IUPAC name of N-(2-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine (CID 81214445) is N-(2-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine?
The canonical SMILES for N-(2-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine is COc1ccccc1N(C)c1cccc2c1CCCN2.
What is the InChIKey of N-(2-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine?
The InChIKey is VGMFCACJXWJSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19(16-9-3-4-11-17(16)20-2)15-10-5-8-14-13(15)7-6-12-18-14/h3-5,8-11,18H,6-7,12H2,1-2H3.
What are the key properties of N-(2-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine?
N-(2-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine has a molecular weight of 268.36 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine is sourced from PubChem (CID 81214445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).