(1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine

C12H17NO — CID 919561

IUPAC(1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine
SMILESCC[C@@H](N)[C@@H]1OCCc2ccccc21
InChIInChI=1S/C12H17NO/c1-2-11(13)12-10-6-4-3-5-9(10)7-8-14-12/h3-6,11-12H,2,7-8,13H2,1H3/t11-,12-/m1/s1
InChIKeyDOGJXIYDSGXFPY-VXGBXAGGSA-N
MW191.27 g/mol
LogP2.04
Rot. Bonds2

About (1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine

(1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine (PubChem CID 919561) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine
PubChem CID919561
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine
SMILESCC[C@@H](N)[C@@H]1OCCc2ccccc21
InChIInChI=1S/C12H17NO/c1-2-11(13)12-10-6-4-3-5-9(10)7-8-14-12/h3-6,11-12H,2,7-8,13H2,1H3/t11-,12-/m1/s1
InChIKeyDOGJXIYDSGXFPY-VXGBXAGGSA-N
XLogP2.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-1H-isochromen-1-yl)propan-1-amine
CID 546897
1-(3,4-dihydro-1H-isochromen-1-yl)heptan-1-amine
CID 105125796
1-(3,4-dihydro-1H-isochromen-1-yl)-4,4-dimethylpentan-1-amine
CID 105139926
1-(3,4-dihydro-1H-isochromen-1-yl)-4-ethylsulfonylbutan-1-amine
CID 105152487
2-cyclohexyl-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
CID 105135467
2-(4-chlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
CID 105085210
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethanamine
CID 105090028
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 105109438
1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylethanamine
CID 12536020
1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylbut-2-en-1-amine
CID 105163207
1-(3,4-dihydro-1H-isochromen-1-yl)-N,2-dimethylbutan-1-amine
CID 105170411
3,4-dihydro-1H-isochromen-1-yl-(2,4,5-trimethylphenyl)methanamine
CID 105154979

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine?
The IUPAC name of (1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine (CID 919561) is (1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine is CC[C@@H](N)[C@@H]1OCCc2ccccc21.
What is the InChIKey of (1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine?
The InChIKey is DOGJXIYDSGXFPY-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-11(13)12-10-6-4-3-5-9(10)7-8-14-12/h3-6,11-12H,2,7-8,13H2,1H3/t11-,12-/m1/s1.
What are the key properties of (1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine?
(1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine is sourced from PubChem (CID 919561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).