N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-8-amine

C17H20N2 — CID 81214941

IUPACN-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-8-amine
SMILESCc1cccc(N(C)c2cccc3c2NCCC3)c1
InChIInChI=1S/C17H20N2/c1-13-6-3-9-15(12-13)19(2)16-10-4-7-14-8-5-11-18-17(14)16/h3-4,6-7,9-10,12,18H,5,8,11H2,1-2H3
InChIKeyFIPFMWKSBYIGJE-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.12
Rot. Bonds2

About N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-8-amine

N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-8-amine (PubChem CID 81214941) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-8-amine
PubChem CID81214941
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-8-amine
SMILESCc1cccc(N(C)c2cccc3c2NCCC3)c1
InChIInChI=1S/C17H20N2/c1-13-6-3-9-15(12-13)19(2)16-10-4-7-14-8-5-11-18-17(14)16/h3-4,6-7,9-10,12,18H,5,8,11H2,1-2H3
InChIKeyFIPFMWKSBYIGJE-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-8-amine?
The IUPAC name of N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-8-amine (CID 81214941) is N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-8-amine?
The canonical SMILES for N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-8-amine is Cc1cccc(N(C)c2cccc3c2NCCC3)c1.
What is the InChIKey of N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-8-amine?
The InChIKey is FIPFMWKSBYIGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-13-6-3-9-15(12-13)19(2)16-10-4-7-14-8-5-11-18-17(14)16/h3-4,6-7,9-10,12,18H,5,8,11H2,1-2H3.
What are the key properties of N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-8-amine?
N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-8-amine has a molecular weight of 252.36 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-8-amine is sourced from PubChem (CID 81214941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).