N-methyl-1-[(1R)-4,4,8-trifluoro-1,3-dihydroisochromen-1-yl]methanamine

C11H12F3NO — CID 165409739

IUPACN-methyl-1-[(1R)-4,4,8-trifluoro-1,3-dihydroisochromen-1-yl]methanamine
SMILESCNC[C@@H]1OCC(F)(F)c2cccc(F)c21
InChIInChI=1S/C11H12F3NO/c1-15-5-9-10-7(3-2-4-8(10)12)11(13,14)6-16-9/h2-4,9,15H,5-6H2,1H3/t9-/m0/s1
InChIKeyGVTFXUVEFIYFSU-VIFPVBQESA-N
MW231.22 g/mol
LogP2.21
Rot. Bonds2

About N-methyl-1-[(1R)-4,4,8-trifluoro-1,3-dihydroisochromen-1-yl]methanamine

N-methyl-1-[(1R)-4,4,8-trifluoro-1,3-dihydroisochromen-1-yl]methanamine (PubChem CID 165409739) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is N-methyl-1-[(1R)-4,4,8-trifluoro-1,3-dihydroisochromen-1-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(1R)-4,4,8-trifluoro-1,3-dihydroisochromen-1-yl]methanamine
PubChem CID165409739
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC NameN-methyl-1-[(1R)-4,4,8-trifluoro-1,3-dihydroisochromen-1-yl]methanamine
SMILESCNC[C@@H]1OCC(F)(F)c2cccc(F)c21
InChIInChI=1S/C11H12F3NO/c1-15-5-9-10-7(3-2-4-8(10)12)11(13,14)6-16-9/h2-4,9,15H,5-6H2,1H3/t9-/m0/s1
InChIKeyGVTFXUVEFIYFSU-VIFPVBQESA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-[(1R)-4,4,8-trifluoro-1,3-dihydroisochromen-1-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,4-difluoro-1,3-dihydroisochromen-1-yl)-N-methylmethanamine
CID 134208098
(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
1-(8-fluoro-3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine;pentanedioic acid
CID 155101041
1-[(3S)-9-fluoro-3-propan-2-yl-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]-N-methylmethanamine
CID 165409740
2-(2,6-difluorophenyl)-1,3-dioxolane
CID 10511746
1-(5-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine
CID 112545998
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methylmethanamine
CID 53275663
N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 134208216
N-methyl-1-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclobutane]-7-ylmethanamine
CID 165391178
1-[(1R)-5,6-difluoro-3,4-dihydro-1H-isochromen-1-yl]-N-methylmethanamine
CID 165409686
8-fluoro-3-(methylaminomethyl)-3,4-dihydroisochromen-1-one
CID 165441355

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1R)-4,4,8-trifluoro-1,3-dihydroisochromen-1-yl]methanamine?
The IUPAC name of N-methyl-1-[(1R)-4,4,8-trifluoro-1,3-dihydroisochromen-1-yl]methanamine (CID 165409739) is N-methyl-1-[(1R)-4,4,8-trifluoro-1,3-dihydroisochromen-1-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(1R)-4,4,8-trifluoro-1,3-dihydroisochromen-1-yl]methanamine?
The canonical SMILES for N-methyl-1-[(1R)-4,4,8-trifluoro-1,3-dihydroisochromen-1-yl]methanamine is CNC[C@@H]1OCC(F)(F)c2cccc(F)c21.
What is the InChIKey of N-methyl-1-[(1R)-4,4,8-trifluoro-1,3-dihydroisochromen-1-yl]methanamine?
The InChIKey is GVTFXUVEFIYFSU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12F3NO/c1-15-5-9-10-7(3-2-4-8(10)12)11(13,14)6-16-9/h2-4,9,15H,5-6H2,1H3/t9-/m0/s1.
What are the key properties of N-methyl-1-[(1R)-4,4,8-trifluoro-1,3-dihydroisochromen-1-yl]methanamine?
N-methyl-1-[(1R)-4,4,8-trifluoro-1,3-dihydroisochromen-1-yl]methanamine has a molecular weight of 231.22 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1R)-4,4,8-trifluoro-1,3-dihydroisochromen-1-yl]methanamine is sourced from PubChem (CID 165409739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).