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

C10H13NO — CID 134221167

IUPAC(3R)-3-methyl-3,4-dihydro-1H-isochromen-4-amine
SMILESC[C@H]1OCc2ccccc2C1N
InChIInChI=1S/C10H13NO/c1-7-10(11)9-5-3-2-4-8(9)6-12-7/h2-5,7,10H,6,11H2,1H3/t7-,10?/m1/s1
InChIKeySDAAEJJCAMNMMI-PVSHWOEXSA-N
MW163.22 g/mol
LogP1.61
Rot. Bonds

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

(3R)-3-methyl-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 134221167) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (3R)-3-methyl-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound Name(3R)-3-methyl-3,4-dihydro-1H-isochromen-4-amine
PubChem CID134221167
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(3R)-3-methyl-3,4-dihydro-1H-isochromen-4-amine
SMILESC[C@H]1OCc2ccccc2C1N
InChIInChI=1S/C10H13NO/c1-7-10(11)9-5-3-2-4-8(9)6-12-7/h2-5,7,10H,6,11H2,1H3/t7-,10?/m1/s1
InChIKeySDAAEJJCAMNMMI-PVSHWOEXSA-N
XLogP1.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-3,4-dihydro-1H-isochromene
CID 12794873
3-propan-2-yl-3,4-dihydro-1H-isochromen-4-amine
CID 134205807
(3S,4R)-6-fluoro-3-methyl-3,4-dihydro-1H-isochromen-4-amine
CID 134223128
(3S,4S)-8-chloro-3-methyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
CID 161082313
(3R,4S)-3-(fluoromethyl)-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
CID 134205919
(1S)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 59444842
(1R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 55285370
(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 51899506
[(3S,4S)-4-amino-3-methyl-3,4-dihydro-1H-isochromen-7-yl] acetate
CID 134221370
(3R,4S)-8-methoxy-3-methyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
CID 160629931
5-chloro-3-methyl-3,4-dihydro-1H-isochromen-4-amine;3,5-dimethyl-3,4-dihydro-1H-isochromen-4-amine;3,6-dimethyl-3,4-dihydro-1H-isochromen-4-amine;3-ethyl-3,4-dihydro-1H-isochromen-4-amine;3-methyl-3,4-dihydro-1H-isochromen-4-amine
CID 158863107
1,3-dihydro-2-benzofuran-1-yl(trimethyl)silane
CID 85354149

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of (3R)-3-methyl-3,4-dihydro-1H-isochromen-4-amine (CID 134221167) is (3R)-3-methyl-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for (3R)-3-methyl-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for (3R)-3-methyl-3,4-dihydro-1H-isochromen-4-amine is C[C@H]1OCc2ccccc2C1N.
What is the InChIKey of (3R)-3-methyl-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is SDAAEJJCAMNMMI-PVSHWOEXSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-10(11)9-5-3-2-4-8(9)6-12-7/h2-5,7,10H,6,11H2,1H3/t7-,10?/m1/s1.
What are the key properties of (3R)-3-methyl-3,4-dihydro-1H-isochromen-4-amine?
(3R)-3-methyl-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 163.22 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 134221167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).