(4S)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine

C9H11FN2 — CID 95240605

IUPAC(4S)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
SMILESN[C@H]1CCNc2cc(F)ccc21
InChIInChI=1S/C9H11FN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5,8,12H,3-4,11H2/t8-/m0/s1
InChIKeyBDIIIYWBLXIJNO-QMMMGPOBSA-N
MW166.20 g/mol
LogP1.64
Rot. Bonds

About (4S)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine

(4S)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine (PubChem CID 95240605) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is (4S)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine.

Molecular Properties

Compound Name(4S)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
PubChem CID95240605
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name(4S)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
SMILESN[C@H]1CCNc2cc(F)ccc21
InChIInChI=1S/C9H11FN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5,8,12H,3-4,11H2/t8-/m0/s1
InChIKeyBDIIIYWBLXIJNO-QMMMGPOBSA-N
XLogP1.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
CID 54594245
7-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275529
(4R)-1,2,3,4-tetrahydroquinolin-4-amine
CID 29243671
8-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 84718205
7-fluoro-4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 105489446
(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanol
CID 83752790
6,7-dimethyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275649
methyl 7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 83754277
4,6-difluoro-1,2,3,4-tetrahydroquinoline
CID 83853904
6-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline
CID 105460978
5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 16666328
6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 22735273

Frequently Asked Questions

What is the IUPAC name of (4S)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine?
The IUPAC name of (4S)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine (CID 95240605) is (4S)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine.
What is the SMILES notation for (4S)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine?
The canonical SMILES for (4S)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine is N[C@H]1CCNc2cc(F)ccc21.
What is the InChIKey of (4S)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine?
The InChIKey is BDIIIYWBLXIJNO-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11FN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5,8,12H,3-4,11H2/t8-/m0/s1.
What are the key properties of (4S)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine?
(4S)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine has a molecular weight of 166.20 g/mol, XLogP of 1.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine is sourced from PubChem (CID 95240605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).