(1S)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine

C12H12F2N2 — CID 171313405

IUPAC(1S)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine
SMILESN[C@@H](CC(F)F)c1ccnc2ccccc12
InChIInChI=1S/C12H12F2N2/c13-12(14)7-10(15)8-5-6-16-11-4-2-1-3-9(8)11/h1-6,10,12H,7,15H2/t10-/m0/s1
InChIKeyAUYIKMGORCUDCQ-JTQLQIEISA-N
MW222.24 g/mol
LogP2.89
Rot. Bonds3

About (1S)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine

(1S)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine (PubChem CID 171313405) has the molecular formula C12H12F2N2 and a molecular weight of 222.24 g/mol. Its IUPAC name is (1S)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine.

Molecular Properties

Compound Name(1S)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine
PubChem CID171313405
Molecular FormulaC12H12F2N2
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(1S)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine
SMILESN[C@@H](CC(F)F)c1ccnc2ccccc12
InChIInChI=1S/C12H12F2N2/c13-12(14)7-10(15)8-5-6-16-11-4-2-1-3-9(8)11/h1-6,10,12H,7,15H2/t10-/m0/s1
InChIKeyAUYIKMGORCUDCQ-JTQLQIEISA-N
XLogP2.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine;hydrochloride
CID 171314041
(1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride
CID 171236618
(1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride
CID 171216978
1-quinolin-4-ylethanamine;dihydrochloride
CID 69169049
(1S)-1-quinolin-4-ylhexan-1-amine
CID 171236624
(4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride
CID 171217020
(1S)-1-quinolin-4-ylhexan-1-amine;hydrochloride
CID 171236625
2-(4-bromophenyl)-1-quinolin-4-ylethanamine
CID 105089328
(1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride
CID 171216982
2-amino-1-quinolin-4-ylpropane-1,3-diol
CID 66206365
[3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine
CID 67722769
3-amino-2-quinolin-4-ylpropan-1-ol
CID 63215939

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine?
The IUPAC name of (1S)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine (CID 171313405) is (1S)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine.
What is the SMILES notation for (1S)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine?
The canonical SMILES for (1S)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine is N[C@@H](CC(F)F)c1ccnc2ccccc12.
What is the InChIKey of (1S)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine?
The InChIKey is AUYIKMGORCUDCQ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12F2N2/c13-12(14)7-10(15)8-5-6-16-11-4-2-1-3-9(8)11/h1-6,10,12H,7,15H2/t10-/m0/s1.
What are the key properties of (1S)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine?
(1S)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine has a molecular weight of 222.24 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine is sourced from PubChem (CID 171313405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).