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

C17H19FN2 — CID 81215085

IUPACN-(4-fluorophenyl)-N,2-dimethyl-1,2,3,4-tetrahydroquinolin-6-amine
SMILESCC1CCc2cc(N(C)c3ccc(F)cc3)ccc2N1
InChIInChI=1S/C17H19FN2/c1-12-3-4-13-11-16(9-10-17(13)19-12)20(2)15-7-5-14(18)6-8-15/h5-12,19H,3-4H2,1-2H3
InChIKeyKLYPNBLQAXKFSB-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.34
Rot. Bonds2

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

N-(4-fluorophenyl)-N,2-dimethyl-1,2,3,4-tetrahydroquinolin-6-amine (PubChem CID 81215085) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N,2-dimethyl-1,2,3,4-tetrahydroquinolin-6-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N,2-dimethyl-1,2,3,4-tetrahydroquinolin-6-amine
PubChem CID81215085
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC NameN-(4-fluorophenyl)-N,2-dimethyl-1,2,3,4-tetrahydroquinolin-6-amine
SMILESCC1CCc2cc(N(C)c3ccc(F)cc3)ccc2N1
InChIInChI=1S/C17H19FN2/c1-12-3-4-13-11-16(9-10-17(13)19-12)20(2)15-7-5-14(18)6-8-15/h5-12,19H,3-4H2,1-2H3
InChIKeyKLYPNBLQAXKFSB-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N,2-dimethyl-1,2,3,4-tetrahydroquinolin-6-amine?
The IUPAC name of N-(4-fluorophenyl)-N,2-dimethyl-1,2,3,4-tetrahydroquinolin-6-amine (CID 81215085) is N-(4-fluorophenyl)-N,2-dimethyl-1,2,3,4-tetrahydroquinolin-6-amine.
What is the SMILES notation for N-(4-fluorophenyl)-N,2-dimethyl-1,2,3,4-tetrahydroquinolin-6-amine?
The canonical SMILES for N-(4-fluorophenyl)-N,2-dimethyl-1,2,3,4-tetrahydroquinolin-6-amine is CC1CCc2cc(N(C)c3ccc(F)cc3)ccc2N1.
What is the InChIKey of N-(4-fluorophenyl)-N,2-dimethyl-1,2,3,4-tetrahydroquinolin-6-amine?
The InChIKey is KLYPNBLQAXKFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c1-12-3-4-13-11-16(9-10-17(13)19-12)20(2)15-7-5-14(18)6-8-15/h5-12,19H,3-4H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-N,2-dimethyl-1,2,3,4-tetrahydroquinolin-6-amine?
N-(4-fluorophenyl)-N,2-dimethyl-1,2,3,4-tetrahydroquinolin-6-amine has a molecular weight of 270.35 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N,2-dimethyl-1,2,3,4-tetrahydroquinolin-6-amine is sourced from PubChem (CID 81215085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).