N-ethoxy-3,4-dihydro-2H-chromen-3-amine

C11H15NO2 — CID 126985805

IUPACN-ethoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCCONC1COc2ccccc2C1
InChIInChI=1S/C11H15NO2/c1-2-14-12-10-7-9-5-3-4-6-11(9)13-8-10/h3-6,10,12H,2,7-8H2,1H3
InChIKeyRNSLWDDBIMIYTM-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.53
Rot. Bonds3

About N-ethoxy-3,4-dihydro-2H-chromen-3-amine

N-ethoxy-3,4-dihydro-2H-chromen-3-amine (PubChem CID 126985805) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-ethoxy-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound NameN-ethoxy-3,4-dihydro-2H-chromen-3-amine
PubChem CID126985805
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-ethoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCCONC1COc2ccccc2C1
InChIInChI=1S/C11H15NO2/c1-2-14-12-10-7-9-5-3-4-6-11(9)13-8-10/h3-6,10,12H,2,7-8H2,1H3
InChIKeyRNSLWDDBIMIYTM-UHFFFAOYSA-N
XLogP1.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-fluoro-3,4-dihydro-2H-chromen-3-amine
CID 141437976
N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide
CID 53006074
(3R)-N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 25308320
N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 45221354
N-(2-methylbutyl)-3,4-dihydro-2H-chromen-3-amine
CID 115887352
2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]ethanol
CID 155711300
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide
CID 94466633
1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea
CID 46357538
methyl 4-(3,4-dihydro-2H-chromen-3-ylamino)-4-oxobutanoate
CID 110751478
N-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenoxy)acetamide
CID 110751539
(3R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 29257290
2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride
CID 119295204

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of N-ethoxy-3,4-dihydro-2H-chromen-3-amine (CID 126985805) is N-ethoxy-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for N-ethoxy-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for N-ethoxy-3,4-dihydro-2H-chromen-3-amine is CCONC1COc2ccccc2C1.
What is the InChIKey of N-ethoxy-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is RNSLWDDBIMIYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-14-12-10-7-9-5-3-4-6-11(9)13-8-10/h3-6,10,12H,2,7-8H2,1H3.
What are the key properties of N-ethoxy-3,4-dihydro-2H-chromen-3-amine?
N-ethoxy-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 193.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 126985805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).