3-propan-2-yl-3,4-dihydro-1H-isochromen-4-amine

C12H17NO — CID 134205807

IUPAC3-propan-2-yl-3,4-dihydro-1H-isochromen-4-amine
SMILESCC(C)C1OCc2ccccc2C1N
InChIInChI=1S/C12H17NO/c1-8(2)12-11(13)10-6-4-3-5-9(10)7-14-12/h3-6,8,11-12H,7,13H2,1-2H3
InChIKeyDTQDUKMLSLIMKV-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.24
Rot. Bonds1

About 3-propan-2-yl-3,4-dihydro-1H-isochromen-4-amine

3-propan-2-yl-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 134205807) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-propan-2-yl-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound Name3-propan-2-yl-3,4-dihydro-1H-isochromen-4-amine
PubChem CID134205807
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-propan-2-yl-3,4-dihydro-1H-isochromen-4-amine
SMILESCC(C)C1OCc2ccccc2C1N
InChIInChI=1S/C12H17NO/c1-8(2)12-11(13)10-6-4-3-5-9(10)7-14-12/h3-6,8,11-12H,7,13H2,1-2H3
InChIKeyDTQDUKMLSLIMKV-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-methyl-3,4-dihydro-1H-isochromen-4-amine
CID 134221167
(3R,4S)-3-(fluoromethyl)-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
CID 134205919
1,3-dihydro-2-benzofuran-1-yl(trimethyl)silane
CID 85354149
3,4-dimethyl-3,4-dihydro-1H-isochromene
CID 12794873
N-methyl-1,3-dihydro-2-benzofuran-1-amine
CID 141076317
3-propan-2-yl-3,4-dihydro-1H-isochromene
CID 130319433
(3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 174973153
2-propan-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64633837
(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 51899506
(1S)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 59444842
(1R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 55285370
2-methoxy-1-[4-(2-phenylethenyl)-3,4-dihydro-1H-isochromen-3-yl]ethanol
CID 75307594

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of 3-propan-2-yl-3,4-dihydro-1H-isochromen-4-amine (CID 134205807) is 3-propan-2-yl-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for 3-propan-2-yl-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for 3-propan-2-yl-3,4-dihydro-1H-isochromen-4-amine is CC(C)C1OCc2ccccc2C1N.
What is the InChIKey of 3-propan-2-yl-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is DTQDUKMLSLIMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8(2)12-11(13)10-6-4-3-5-9(10)7-14-12/h3-6,8,11-12H,7,13H2,1-2H3.
What are the key properties of 3-propan-2-yl-3,4-dihydro-1H-isochromen-4-amine?
3-propan-2-yl-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 191.27 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 134205807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).