(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-amine

C11H15NO2 — CID 96753063

IUPAC(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCCOc1cccc2c1OC[C@@H](N)C2
InChIInChI=1S/C11H15NO2/c1-2-13-10-5-3-4-8-6-9(12)7-14-11(8)10/h3-5,9H,2,6-7,12H2,1H3/t9-/m0/s1
InChIKeyKJLWDVFQGMEDQY-VIFPVBQESA-N
MW193.25 g/mol
LogP1.35
Rot. Bonds2

About (3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-amine

(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-amine (PubChem CID 96753063) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-amine
PubChem CID96753063
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCCOc1cccc2c1OC[C@@H](N)C2
InChIInChI=1S/C11H15NO2/c1-2-13-10-5-3-4-8-6-9(12)7-14-11(8)10/h3-5,9H,2,6-7,12H2,1H3/t9-/m0/s1
InChIKeyKJLWDVFQGMEDQY-VIFPVBQESA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-amino-3,4-dihydro-2H-chromene-8-carboxylate
CID 131490898
[(2S)-7-ethoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 99981796
8-[(6-chloro-5-methyl-3-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-amine
CID 135373550
(7-ethoxy-2,3-dihydro-1-benzofuran-2-yl)methanol
CID 126844412
N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-1-phenylmethanesulfonamide
CID 95117122
8-ethoxy-4H-chromen-3-one
CID 82604473
N-(8-ethoxy-3,4-dihydro-2H-chromen-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 53210010
N-[4-[(8-ethoxy-3,4-dihydro-2H-chromen-3-yl)sulfamoyl]phenyl]acetamide
CID 53210004
N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 95117126
7-ethoxy-4-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 130054307
5-chloro-N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2-methoxybenzenesulfonamide
CID 95117130
ethyl 2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-methylamino]acetate
CID 30921029

Frequently Asked Questions

What is the IUPAC name of (3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-amine (CID 96753063) is (3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-amine is CCOc1cccc2c1OC[C@@H](N)C2.
What is the InChIKey of (3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is KJLWDVFQGMEDQY-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-13-10-5-3-4-8-6-9(12)7-14-11(8)10/h3-5,9H,2,6-7,12H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-amine?
(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 193.25 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 96753063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).