2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine

C16H18N2 — CID 2839906

IUPAC2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCC1CC(Nc2ccccc2)c2ccccc2N1
InChIInChI=1S/C16H18N2/c1-12-11-16(18-13-7-3-2-4-8-13)14-9-5-6-10-15(14)17-12/h2-10,12,16-18H,11H2,1H3
InChIKeyFTECJLOPKLYFII-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.04
Rot. Bonds2

About 2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine

2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine (PubChem CID 2839906) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine
PubChem CID2839906
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCC1CC(Nc2ccccc2)c2ccccc2N1
InChIInChI=1S/C16H18N2/c1-12-11-16(18-13-7-3-2-4-8-13)14-9-5-6-10-15(14)17-12/h2-10,12,16-18H,11H2,1H3
InChIKeyFTECJLOPKLYFII-UHFFFAOYSA-N
XLogP4.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine?
The IUPAC name of 2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine (CID 2839906) is 2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine.
What is the SMILES notation for 2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine?
The canonical SMILES for 2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine is CC1CC(Nc2ccccc2)c2ccccc2N1.
What is the InChIKey of 2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine?
The InChIKey is FTECJLOPKLYFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-12-11-16(18-13-7-3-2-4-8-13)14-9-5-6-10-15(14)17-12/h2-10,12,16-18H,11H2,1H3.
What are the key properties of 2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine?
2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine has a molecular weight of 238.33 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine is sourced from PubChem (CID 2839906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).