[(1R,4R)-8-fluoro-4-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine

C11H14FNO — CID 165409732

IUPAC[(1R,4R)-8-fluoro-4-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine
SMILESC[C@H]1CO[C@@H](CN)c2c(F)cccc21
InChIInChI=1S/C11H14FNO/c1-7-6-14-10(5-13)11-8(7)3-2-4-9(11)12/h2-4,7,10H,5-6,13H2,1H3/t7-,10-/m0/s1
InChIKeyYJQZKSJNWUCGRD-XVKPBYJWSA-N
MW195.24 g/mol
LogP1.96
Rot. Bonds1

About [(1R,4R)-8-fluoro-4-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine

[(1R,4R)-8-fluoro-4-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine (PubChem CID 165409732) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is [(1R,4R)-8-fluoro-4-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine.

Molecular Properties

Compound Name[(1R,4R)-8-fluoro-4-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine
PubChem CID165409732
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name[(1R,4R)-8-fluoro-4-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine
SMILESC[C@H]1CO[C@@H](CN)c2c(F)cccc21
InChIInChI=1S/C11H14FNO/c1-7-6-14-10(5-13)11-8(7)3-2-4-9(11)12/h2-4,7,10H,5-6,13H2,1H3/t7-,10-/m0/s1
InChIKeyYJQZKSJNWUCGRD-XVKPBYJWSA-N
XLogP1.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,4S)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol
CID 134208119
(1R,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S,4S)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S,4R)-8-fluoro-1-propyl-3,4-dihydro-1H-isochromen-4-ol;(1R,4S)-8-fluoro-1-propyl-3,4-dihydro-1H-isochromen-4-ol
CID 158481919
4-fluoro-3-methyl-2,3-dihydro-1H-inden-1-ol
CID 63821752
[4-(2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine
CID 82158224
tert-butyl N-[(8-fluoro-4-hydroxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-N-methylcarbamate
CID 142753049
tert-butyl N-[2-(8-fluoro-4-hydroxy-3,4-dihydro-1H-isochromen-1-yl)ethyl]carbamate
CID 168876059
ethyl 2-(4-methyl-3,4-dihydro-1H-isochromen-1-yl)acetate
CID 132528252
1-(5-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine
CID 112545998
(7-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine
CID 83908067
2-(2,6-difluorophenyl)-1,3-dioxolane
CID 10511746
(2S)-2-[(1R)-6-fluoro-4-methyl-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine
CID 134399594
(1R)-1-ethyl-8-fluoro-3,4-dihydro-1H-isochromene
CID 134211158

Frequently Asked Questions

What is the IUPAC name of [(1R,4R)-8-fluoro-4-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The IUPAC name of [(1R,4R)-8-fluoro-4-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine (CID 165409732) is [(1R,4R)-8-fluoro-4-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine.
What is the SMILES notation for [(1R,4R)-8-fluoro-4-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The canonical SMILES for [(1R,4R)-8-fluoro-4-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine is C[C@H]1CO[C@@H](CN)c2c(F)cccc21.
What is the InChIKey of [(1R,4R)-8-fluoro-4-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The InChIKey is YJQZKSJNWUCGRD-XVKPBYJWSA-N. The full InChI is InChI=1S/C11H14FNO/c1-7-6-14-10(5-13)11-8(7)3-2-4-9(11)12/h2-4,7,10H,5-6,13H2,1H3/t7-,10-/m0/s1.
What are the key properties of [(1R,4R)-8-fluoro-4-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
[(1R,4R)-8-fluoro-4-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine has a molecular weight of 195.24 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4R)-8-fluoro-4-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine is sourced from PubChem (CID 165409732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).