(4R)-7-ethoxy-3,4-dihydro-1H-isochromen-4-amine

C11H15NO2 — CID 131221796

IUPAC(4R)-7-ethoxy-3,4-dihydro-1H-isochromen-4-amine
SMILESCCOc1ccc2c(c1)COC[C@@H]2N
InChIInChI=1S/C11H15NO2/c1-2-14-9-3-4-10-8(5-9)6-13-7-11(10)12/h3-5,11H,2,6-7,12H2,1H3/t11-/m0/s1
InChIKeyPYGXQBUABXCLTB-NSHDSACASA-N
MW193.25 g/mol
LogP1.62
Rot. Bonds2

About (4R)-7-ethoxy-3,4-dihydro-1H-isochromen-4-amine

(4R)-7-ethoxy-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 131221796) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (4R)-7-ethoxy-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound Name(4R)-7-ethoxy-3,4-dihydro-1H-isochromen-4-amine
PubChem CID131221796
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(4R)-7-ethoxy-3,4-dihydro-1H-isochromen-4-amine
SMILESCCOc1ccc2c(c1)COC[C@@H]2N
InChIInChI=1S/C11H15NO2/c1-2-14-9-3-4-10-8(5-9)6-13-7-11(10)12/h3-5,11H,2,6-7,12H2,1H3/t11-/m0/s1
InChIKeyPYGXQBUABXCLTB-NSHDSACASA-N
XLogP1.62
TPSA44.48 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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-7-(2-methylpropoxy)-3,4-dihydro-1H-isochromen-4-amine
CID 131309092
(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 70817218
methyl 2-[(4S)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetate
CID 131610471
5-ethoxy-2,3-dihydro-1H-inden-2-amine
CID 90944154
(1R)-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417533
(4R)-4-amino-3,4-dihydro-1H-isochromene-7-carboxylic acid
CID 131098619
N-[(4R)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetamide
CID 131380829
2-[7-[(4-methoxyphenyl)methoxy]-3,4-dihydro-1H-isochromen-4-yl]acetaldehyde
CID 58990656
(1R,2R)-2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-ol
CID 12051572
3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62737273
(5S)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014278
4,7-dimethoxy-3,4-dihydro-1H-isochromene
CID 14530781

Frequently Asked Questions

What is the IUPAC name of (4R)-7-ethoxy-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of (4R)-7-ethoxy-3,4-dihydro-1H-isochromen-4-amine (CID 131221796) is (4R)-7-ethoxy-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for (4R)-7-ethoxy-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for (4R)-7-ethoxy-3,4-dihydro-1H-isochromen-4-amine is CCOc1ccc2c(c1)COC[C@@H]2N.
What is the InChIKey of (4R)-7-ethoxy-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is PYGXQBUABXCLTB-NSHDSACASA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-14-9-3-4-10-8(5-9)6-13-7-11(10)12/h3-5,11H,2,6-7,12H2,1H3/t11-/m0/s1.
What are the key properties of (4R)-7-ethoxy-3,4-dihydro-1H-isochromen-4-amine?
(4R)-7-ethoxy-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 193.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-ethoxy-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 131221796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).