(2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol

C13H19NO3 — CID 113349398

IUPAC(2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
SMILESCOc1ccc2c(c1)C(NC[C@@H](C)O)CCO2
InChIInChI=1S/C13H19NO3/c1-9(15)8-14-12-5-6-17-13-4-3-10(16-2)7-11(12)13/h3-4,7,9,12,14-15H,5-6,8H2,1-2H3/t9-,12?/m1/s1
InChIKeyXIFOSOPOMYPDLP-PKEIRNPWSA-N
MW237.30 g/mol
LogP1.49
Rot. Bonds4

About (2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol

(2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol (PubChem CID 113349398) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
PubChem CID113349398
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
SMILESCOc1ccc2c(c1)C(NC[C@@H](C)O)CCO2
InChIInChI=1S/C13H19NO3/c1-9(15)8-14-12-5-6-17-13-4-3-10(16-2)7-11(12)13/h3-4,7,9,12,14-15H,5-6,8H2,1-2H3/t9-,12?/m1/s1
InChIKeyXIFOSOPOMYPDLP-PKEIRNPWSA-N
XLogP1.49
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol with MolForge

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Related Compounds

1,1-difluoro-3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
CID 103788069
N-(2-cyclopropylpropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 115713963
6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine
CID 54914211
6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine
CID 103522678
6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43756306
N'-butan-2-yl-N-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine
CID 103780845
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
2-[2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]ethanol
CID 43771494
6-methoxy-N-(thian-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 115720011
6-methoxy-N-[(3-methylcyclopentyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 107411470
N-ethyl-2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-N-methylacetamide
CID 104926727
N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine
CID 126780788

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol (CID 113349398) is (2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol is COc1ccc2c(c1)C(NC[C@@H](C)O)CCO2.
What is the InChIKey of (2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol?
The InChIKey is XIFOSOPOMYPDLP-PKEIRNPWSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(15)8-14-12-5-6-17-13-4-3-10(16-2)7-11(12)13/h3-4,7,9,12,14-15H,5-6,8H2,1-2H3/t9-,12?/m1/s1.
What are the key properties of (2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol?
(2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol has a molecular weight of 237.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol is sourced from PubChem (CID 113349398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).