(10bS)-8-fluoro-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-1-amine

C12H15FN2 — CID 142337194

IUPAC(10bS)-8-fluoro-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-1-amine
SMILESNC1CCN2CCc3cc(F)ccc3[C@@H]12
InChIInChI=1S/C12H15FN2/c13-9-1-2-10-8(7-9)3-5-15-6-4-11(14)12(10)15/h1-2,7,11-12H,3-6,14H2/t11?,12-/m0/s1
InChIKeyYCNVMDFWNGYAQK-KIYNQFGBSA-N
MW206.26 g/mol
LogP1.46
Rot. Bonds

About (10bS)-8-fluoro-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-1-amine

(10bS)-8-fluoro-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-1-amine (PubChem CID 142337194) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is (10bS)-8-fluoro-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-1-amine.

Molecular Properties

Compound Name(10bS)-8-fluoro-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-1-amine
PubChem CID142337194
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name(10bS)-8-fluoro-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-1-amine
SMILESNC1CCN2CCc3cc(F)ccc3[C@@H]12
InChIInChI=1S/C12H15FN2/c13-9-1-2-10-8(7-9)3-5-15-6-4-11(14)12(10)15/h1-2,7,11-12H,3-6,14H2/t11?,12-/m0/s1
InChIKeyYCNVMDFWNGYAQK-KIYNQFGBSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (10bS)-8-fluoro-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-1-amine with MolForge

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Related Compounds

1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-3-amine
CID 116531458
5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 16666328
(1R,2R)-2-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 51600890
6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71757709
2-[1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]ethanamine
CID 116531465
(1R,2R)-1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol
CID 170661589
(1R)-1-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol
CID 163236290
1-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol
CID 156838062
2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 116531428
6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 115010803
3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 116531514
6-fluoro-2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 135177655

Frequently Asked Questions

What is the IUPAC name of (10bS)-8-fluoro-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-1-amine?
The IUPAC name of (10bS)-8-fluoro-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-1-amine (CID 142337194) is (10bS)-8-fluoro-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-1-amine.
What is the SMILES notation for (10bS)-8-fluoro-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-1-amine?
The canonical SMILES for (10bS)-8-fluoro-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-1-amine is NC1CCN2CCc3cc(F)ccc3[C@@H]12.
What is the InChIKey of (10bS)-8-fluoro-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-1-amine?
The InChIKey is YCNVMDFWNGYAQK-KIYNQFGBSA-N. The full InChI is InChI=1S/C12H15FN2/c13-9-1-2-10-8(7-9)3-5-15-6-4-11(14)12(10)15/h1-2,7,11-12H,3-6,14H2/t11?,12-/m0/s1.
What are the key properties of (10bS)-8-fluoro-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-1-amine?
(10bS)-8-fluoro-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-1-amine has a molecular weight of 206.26 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10bS)-8-fluoro-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-1-amine is sourced from PubChem (CID 142337194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).