(4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromen-4-amine

C17H17NO3 — CID 104946217

IUPAC(4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2ccc3c(c2)OCCO3)Oc2ccccc21
InChIInChI=1S/C17H17NO3/c18-13-10-16(21-14-4-2-1-3-12(13)14)11-5-6-15-17(9-11)20-8-7-19-15/h1-6,9,13,16H,7-8,10,18H2/t13-,16?/m1/s1
InChIKeyHUNWMEIZKMBUQI-JBZHPUCOSA-N
MW283.33 g/mol
LogP2.98
Rot. Bonds1

About (4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromen-4-amine

(4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946217) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946217
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2ccc3c(c2)OCCO3)Oc2ccccc21
InChIInChI=1S/C17H17NO3/c18-13-10-16(21-14-4-2-1-3-12(13)14)11-5-6-15-17(9-11)20-8-7-19-15/h1-6,9,13,16H,7-8,10,18H2/t13-,16?/m1/s1
InChIKeyHUNWMEIZKMBUQI-JBZHPUCOSA-N
XLogP2.98
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-2-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 11277233
2-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 72766058
(4S)-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945818
(4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945853
(4S)-2-(3-bromo-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945825
2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 114709441
(4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 104945921
(4R)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 104946162
3-[(4R)-4-amino-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
CID 104946265
2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 114709442
(4S)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945210
(2R,4R)-2-chloro-3,4-dihydro-2H-chromen-4-amine
CID 141093967

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromen-4-amine (CID 104946217) is (4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1CC(c2ccc3c(c2)OCCO3)Oc2ccccc21.
What is the InChIKey of (4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is HUNWMEIZKMBUQI-JBZHPUCOSA-N. The full InChI is InChI=1S/C17H17NO3/c18-13-10-16(21-14-4-2-1-3-12(13)14)11-5-6-15-17(9-11)20-8-7-19-15/h1-6,9,13,16H,7-8,10,18H2/t13-,16?/m1/s1.
What are the key properties of (4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 283.33 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).