1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinolin-6-amine

C17H19FN2 — CID 141180811

IUPAC1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinolin-6-amine
SMILESCC1(C)Cc2cc(N)ccc2N(c2ccc(F)cc2)C1
InChIInChI=1S/C17H19FN2/c1-17(2)10-12-9-14(19)5-8-16(12)20(11-17)15-6-3-13(18)4-7-15/h3-9H,10-11,19H2,1-2H3
InChIKeyBDVIWKKQZZGCEC-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.13
Rot. Bonds1

About 1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinolin-6-amine

1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinolin-6-amine (PubChem CID 141180811) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinolin-6-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinolin-6-amine
PubChem CID141180811
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinolin-6-amine
SMILESCC1(C)Cc2cc(N)ccc2N(c2ccc(F)cc2)C1
InChIInChI=1S/C17H19FN2/c1-17(2)10-12-9-14(19)5-8-16(12)20(11-17)15-6-3-13(18)4-7-15/h3-9H,10-11,19H2,1-2H3
InChIKeyBDVIWKKQZZGCEC-UHFFFAOYSA-N
XLogP4.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.13
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 1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinolin-6-amine?
The IUPAC name of 1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinolin-6-amine (CID 141180811) is 1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinolin-6-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinolin-6-amine?
The canonical SMILES for 1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinolin-6-amine is CC1(C)Cc2cc(N)ccc2N(c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinolin-6-amine?
The InChIKey is BDVIWKKQZZGCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c1-17(2)10-12-9-14(19)5-8-16(12)20(11-17)15-6-3-13(18)4-7-15/h3-9H,10-11,19H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinolin-6-amine?
1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinolin-6-amine has a molecular weight of 270.35 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydroquinolin-6-amine is sourced from PubChem (CID 141180811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).