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

C13H17F2NO3 — CID 103788069

IUPAC1,1-difluoro-3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
SMILESCOc1ccc2c(c1)C(NCC(O)C(F)F)CCO2
InChIInChI=1S/C13H17F2NO3/c1-18-8-2-3-12-9(6-8)10(4-5-19-12)16-7-11(17)13(14)15/h2-3,6,10-11,13,16-17H,4-5,7H2,1H3
InChIKeySXNXYBFDBSSSDP-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.73
Rot. Bonds5

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

1,1-difluoro-3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol (PubChem CID 103788069) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is 1,1-difluoro-3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
PubChem CID103788069
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name1,1-difluoro-3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
SMILESCOc1ccc2c(c1)C(NCC(O)C(F)F)CCO2
InChIInChI=1S/C13H17F2NO3/c1-18-8-2-3-12-9(6-8)10(4-5-19-12)16-7-11(17)13(14)15/h2-3,6,10-11,13,16-17H,4-5,7H2,1H3
InChIKeySXNXYBFDBSSSDP-UHFFFAOYSA-N
XLogP1.73
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

(2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
CID 113349398
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-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'-butan-2-yl-N-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine
CID 103780845
N-ethyl-2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-N-methylacetamide
CID 104926727
6-methoxy-N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-chromen-4-amine
CID 82711567

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol (CID 103788069) is 1,1-difluoro-3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol is COc1ccc2c(c1)C(NCC(O)C(F)F)CCO2.
What is the InChIKey of 1,1-difluoro-3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol?
The InChIKey is SXNXYBFDBSSSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-18-8-2-3-12-9(6-8)10(4-5-19-12)16-7-11(17)13(14)15/h2-3,6,10-11,13,16-17H,4-5,7H2,1H3.
What are the key properties of 1,1-difluoro-3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol?
1,1-difluoro-3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol has a molecular weight of 273.28 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol is sourced from PubChem (CID 103788069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).