(4R)-6-methoxy-N-methyl-3,4-dihydro-1H-isochromen-4-amine

C11H15NO2 — CID 134223009

IUPAC(4R)-6-methoxy-N-methyl-3,4-dihydro-1H-isochromen-4-amine
SMILESCN[C@H]1COCc2ccc(OC)cc21
InChIInChI=1S/C11H15NO2/c1-12-11-7-14-6-8-3-4-9(13-2)5-10(8)11/h3-5,11-12H,6-7H2,1-2H3/t11-/m0/s1
InChIKeyPERXYNSPKNGHLP-NSHDSACASA-N
MW193.25 g/mol
LogP1.49
Rot. Bonds2

About (4R)-6-methoxy-N-methyl-3,4-dihydro-1H-isochromen-4-amine

(4R)-6-methoxy-N-methyl-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 134223009) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (4R)-6-methoxy-N-methyl-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound Name(4R)-6-methoxy-N-methyl-3,4-dihydro-1H-isochromen-4-amine
PubChem CID134223009
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(4R)-6-methoxy-N-methyl-3,4-dihydro-1H-isochromen-4-amine
SMILESCN[C@H]1COCc2ccc(OC)cc21
InChIInChI=1S/C11H15NO2/c1-12-11-7-14-6-8-3-4-9(13-2)5-10(8)11/h3-5,11-12H,6-7H2,1-2H3/t11-/m0/s1
InChIKeyPERXYNSPKNGHLP-NSHDSACASA-N
XLogP1.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
CID 171487758
4,7-dimethoxy-3,4-dihydro-1H-isochromene
CID 14530781
7-methoxy-N-[2-(oxolan-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104537990
8-methoxy-1,3,4,5-tetrahydro-2-benzoxepin-5-amine
CID 170899412
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149518
N,7-dimethyl-1,3,4,5-tetrahydro-2-benzoxepin-5-amine
CID 134221166
2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine
CID 82462579
(2R)-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334379
N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239587
3-(2-bromo-5-methoxyphenyl)oxetane
CID 172992069
7-bromo-5-methoxy-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 104831059
6-methoxy-2-(methylamino)-2,3-dihydroinden-1-one
CID 67555902

Frequently Asked Questions

What is the IUPAC name of (4R)-6-methoxy-N-methyl-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of (4R)-6-methoxy-N-methyl-3,4-dihydro-1H-isochromen-4-amine (CID 134223009) is (4R)-6-methoxy-N-methyl-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for (4R)-6-methoxy-N-methyl-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for (4R)-6-methoxy-N-methyl-3,4-dihydro-1H-isochromen-4-amine is CN[C@H]1COCc2ccc(OC)cc21.
What is the InChIKey of (4R)-6-methoxy-N-methyl-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is PERXYNSPKNGHLP-NSHDSACASA-N. The full InChI is InChI=1S/C11H15NO2/c1-12-11-7-14-6-8-3-4-9(13-2)5-10(8)11/h3-5,11-12H,6-7H2,1-2H3/t11-/m0/s1.
What are the key properties of (4R)-6-methoxy-N-methyl-3,4-dihydro-1H-isochromen-4-amine?
(4R)-6-methoxy-N-methyl-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 193.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methoxy-N-methyl-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 134223009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).