2,2,4-trimethyl-N-(4-methylphenyl)-1H-quinolin-6-amine

C19H22N2 — CID 154263778

IUPAC2,2,4-trimethyl-N-(4-methylphenyl)-1H-quinolin-6-amine
SMILESCC1=CC(C)(C)Nc2ccc(Nc3ccc(C)cc3)cc21
InChIInChI=1S/C19H22N2/c1-13-5-7-15(8-6-13)20-16-9-10-18-17(11-16)14(2)12-19(3,4)21-18/h5-12,20-21H,1-4H3
InChIKeyNGFFWQUGGRUJAD-UHFFFAOYSA-N
MW278.40 g/mol
LogP5.35
Rot. Bonds2

About 2,2,4-trimethyl-N-(4-methylphenyl)-1H-quinolin-6-amine

2,2,4-trimethyl-N-(4-methylphenyl)-1H-quinolin-6-amine (PubChem CID 154263778) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2,2,4-trimethyl-N-(4-methylphenyl)-1H-quinolin-6-amine.

Molecular Properties

Compound Name2,2,4-trimethyl-N-(4-methylphenyl)-1H-quinolin-6-amine
PubChem CID154263778
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2,2,4-trimethyl-N-(4-methylphenyl)-1H-quinolin-6-amine
SMILESCC1=CC(C)(C)Nc2ccc(Nc3ccc(C)cc3)cc21
InChIInChI=1S/C19H22N2/c1-13-5-7-15(8-6-13)20-16-9-10-18-17(11-16)14(2)12-19(3,4)21-18/h5-12,20-21H,1-4H3
InChIKeyNGFFWQUGGRUJAD-UHFFFAOYSA-N
XLogP5.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-N-(4-methylphenyl)-1H-quinolin-6-amine?
The IUPAC name of 2,2,4-trimethyl-N-(4-methylphenyl)-1H-quinolin-6-amine (CID 154263778) is 2,2,4-trimethyl-N-(4-methylphenyl)-1H-quinolin-6-amine.
What is the SMILES notation for 2,2,4-trimethyl-N-(4-methylphenyl)-1H-quinolin-6-amine?
The canonical SMILES for 2,2,4-trimethyl-N-(4-methylphenyl)-1H-quinolin-6-amine is CC1=CC(C)(C)Nc2ccc(Nc3ccc(C)cc3)cc21.
What is the InChIKey of 2,2,4-trimethyl-N-(4-methylphenyl)-1H-quinolin-6-amine?
The InChIKey is NGFFWQUGGRUJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-13-5-7-15(8-6-13)20-16-9-10-18-17(11-16)14(2)12-19(3,4)21-18/h5-12,20-21H,1-4H3.
What are the key properties of 2,2,4-trimethyl-N-(4-methylphenyl)-1H-quinolin-6-amine?
2,2,4-trimethyl-N-(4-methylphenyl)-1H-quinolin-6-amine has a molecular weight of 278.40 g/mol, XLogP of 5.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-N-(4-methylphenyl)-1H-quinolin-6-amine is sourced from PubChem (CID 154263778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).