aniline;1,2,2,4-tetramethylquinoline

C19H24N2 — CID 174979716

IUPACaniline;1,2,2,4-tetramethylquinoline
SMILESCC1=CC(C)(C)N(C)c2ccccc21.Nc1ccccc1
InChIInChI=1S/C13H17N.C6H7N/c1-10-9-13(2,3)14(4)12-8-6-5-7-11(10)12;7-6-4-2-1-3-5-6/h5-9H,1-4H3;1-5H,7H2
InChIKeyHVKXORJGUUODKX-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.59
Rot. Bonds

About aniline;1,2,2,4-tetramethylquinoline

aniline;1,2,2,4-tetramethylquinoline (PubChem CID 174979716) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is aniline;1,2,2,4-tetramethylquinoline.

Molecular Properties

Compound Nameaniline;1,2,2,4-tetramethylquinoline
PubChem CID174979716
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Nameaniline;1,2,2,4-tetramethylquinoline
SMILESCC1=CC(C)(C)N(C)c2ccccc21.Nc1ccccc1
InChIInChI=1S/C13H17N.C6H7N/c1-10-9-13(2,3)14(4)12-8-6-5-7-11(10)12;7-6-4-2-1-3-5-6/h5-9H,1-4H3;1-5H,7H2
InChIKeyHVKXORJGUUODKX-UHFFFAOYSA-N
XLogP4.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of aniline;1,2,2,4-tetramethylquinoline?
The IUPAC name of aniline;1,2,2,4-tetramethylquinoline (CID 174979716) is aniline;1,2,2,4-tetramethylquinoline.
What is the SMILES notation for aniline;1,2,2,4-tetramethylquinoline?
The canonical SMILES for aniline;1,2,2,4-tetramethylquinoline is CC1=CC(C)(C)N(C)c2ccccc21.Nc1ccccc1.
What is the InChIKey of aniline;1,2,2,4-tetramethylquinoline?
The InChIKey is HVKXORJGUUODKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.C6H7N/c1-10-9-13(2,3)14(4)12-8-6-5-7-11(10)12;7-6-4-2-1-3-5-6/h5-9H,1-4H3;1-5H,7H2.
What are the key properties of aniline;1,2,2,4-tetramethylquinoline?
aniline;1,2,2,4-tetramethylquinoline has a molecular weight of 280.42 g/mol, XLogP of 4.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;1,2,2,4-tetramethylquinoline is sourced from PubChem (CID 174979716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).