N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine

C9H11FN2 — CID 145471491

IUPACN-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
SMILESFNC1CCCc2cccnc21
InChIInChI=1S/C9H11FN2/c10-12-8-5-1-3-7-4-2-6-11-9(7)8/h2,4,6,8,12H,1,3,5H2
InChIKeyRJJUYGBXPGOYAV-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.93
Rot. Bonds1

About N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine

N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 145471491) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID145471491
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC NameN-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
SMILESFNC1CCCc2cccnc21
InChIInChI=1S/C9H11FN2/c10-12-8-5-1-3-7-4-2-6-11-9(7)8/h2,4,6,8,12H,1,3,5H2
InChIKeyRJJUYGBXPGOYAV-UHFFFAOYSA-N
XLogP1.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331
N-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 74539206
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
N-(cyclopentylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079348
N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81351385
N-[(1S)-1-pyridin-3-ylethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81406455
(8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11736560
N-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079351
N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080071

Frequently Asked Questions

What is the IUPAC name of N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine (CID 145471491) is N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine is FNC1CCCc2cccnc21.
What is the InChIKey of N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is RJJUYGBXPGOYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c10-12-8-5-1-3-7-4-2-6-11-9(7)8/h2,4,6,8,12H,1,3,5H2.
What are the key properties of N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine?
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 166.20 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 145471491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).