4,4,6-trimethyl-N-phenyl-1-propan-2-yl-2,3-dihydroquinolin-7-amine

C21H28N2 — CID 57170424

IUPAC4,4,6-trimethyl-N-phenyl-1-propan-2-yl-2,3-dihydroquinolin-7-amine
SMILESCc1cc2c(cc1Nc1ccccc1)N(C(C)C)CCC2(C)C
InChIInChI=1S/C21H28N2/c1-15(2)23-12-11-21(4,5)18-13-16(3)19(14-20(18)23)22-17-9-7-6-8-10-17/h6-10,13-15,22H,11-12H2,1-5H3
InChIKeyAXAZFOILNHSSAR-UHFFFAOYSA-N
MW308.47 g/mol
LogP5.63
Rot. Bonds3

About 4,4,6-trimethyl-N-phenyl-1-propan-2-yl-2,3-dihydroquinolin-7-amine

4,4,6-trimethyl-N-phenyl-1-propan-2-yl-2,3-dihydroquinolin-7-amine (PubChem CID 57170424) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 4,4,6-trimethyl-N-phenyl-1-propan-2-yl-2,3-dihydroquinolin-7-amine.

Molecular Properties

Compound Name4,4,6-trimethyl-N-phenyl-1-propan-2-yl-2,3-dihydroquinolin-7-amine
PubChem CID57170424
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name4,4,6-trimethyl-N-phenyl-1-propan-2-yl-2,3-dihydroquinolin-7-amine
SMILESCc1cc2c(cc1Nc1ccccc1)N(C(C)C)CCC2(C)C
InChIInChI=1S/C21H28N2/c1-15(2)23-12-11-21(4,5)18-13-16(3)19(14-20(18)23)22-17-9-7-6-8-10-17/h6-10,13-15,22H,11-12H2,1-5H3
InChIKeyAXAZFOILNHSSAR-UHFFFAOYSA-N
XLogP5.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyl-N-phenyl-1-propan-2-yl-2,3-dihydroquinolin-7-amine?
The IUPAC name of 4,4,6-trimethyl-N-phenyl-1-propan-2-yl-2,3-dihydroquinolin-7-amine (CID 57170424) is 4,4,6-trimethyl-N-phenyl-1-propan-2-yl-2,3-dihydroquinolin-7-amine.
What is the SMILES notation for 4,4,6-trimethyl-N-phenyl-1-propan-2-yl-2,3-dihydroquinolin-7-amine?
The canonical SMILES for 4,4,6-trimethyl-N-phenyl-1-propan-2-yl-2,3-dihydroquinolin-7-amine is Cc1cc2c(cc1Nc1ccccc1)N(C(C)C)CCC2(C)C.
What is the InChIKey of 4,4,6-trimethyl-N-phenyl-1-propan-2-yl-2,3-dihydroquinolin-7-amine?
The InChIKey is AXAZFOILNHSSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-15(2)23-12-11-21(4,5)18-13-16(3)19(14-20(18)23)22-17-9-7-6-8-10-17/h6-10,13-15,22H,11-12H2,1-5H3.
What are the key properties of 4,4,6-trimethyl-N-phenyl-1-propan-2-yl-2,3-dihydroquinolin-7-amine?
4,4,6-trimethyl-N-phenyl-1-propan-2-yl-2,3-dihydroquinolin-7-amine has a molecular weight of 308.47 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-N-phenyl-1-propan-2-yl-2,3-dihydroquinolin-7-amine is sourced from PubChem (CID 57170424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).