2,2-difluoro-3-[(2-methyl-1-benzofuran-3-yl)methylamino]propan-1-ol

C13H15F2NO2 — CID 113462728

IUPAC2,2-difluoro-3-[(2-methyl-1-benzofuran-3-yl)methylamino]propan-1-ol
SMILESCc1oc2ccccc2c1CNCC(F)(F)CO
InChIInChI=1S/C13H15F2NO2/c1-9-11(6-16-7-13(14,15)8-17)10-4-2-3-5-12(10)18-9/h2-5,16-17H,6-8H2,1H3
InChIKeyAEUBCDQYDNSCGU-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.46
Rot. Bonds5

About 2,2-difluoro-3-[(2-methyl-1-benzofuran-3-yl)methylamino]propan-1-ol

2,2-difluoro-3-[(2-methyl-1-benzofuran-3-yl)methylamino]propan-1-ol (PubChem CID 113462728) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 2,2-difluoro-3-[(2-methyl-1-benzofuran-3-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(2-methyl-1-benzofuran-3-yl)methylamino]propan-1-ol
PubChem CID113462728
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name2,2-difluoro-3-[(2-methyl-1-benzofuran-3-yl)methylamino]propan-1-ol
SMILESCc1oc2ccccc2c1CNCC(F)(F)CO
InChIInChI=1S/C13H15F2NO2/c1-9-11(6-16-7-13(14,15)8-17)10-4-2-3-5-12(10)18-9/h2-5,16-17H,6-8H2,1H3
InChIKeyAEUBCDQYDNSCGU-UHFFFAOYSA-N
XLogP2.46
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-5-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-1-ol
CID 103897611
[4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol
CID 107230098
6-[(2-methyl-1-benzofuran-3-yl)methylamino]hexan-1-ol
CID 103924069
3-methyl-3-[(2-methyl-1-benzofuran-3-yl)methylamino]butan-1-ol
CID 115907355
2-methyl-3-(2,2,2-trifluoroethyl)-1-benzofuran
CID 175141067
4,4-dimethyl-1-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-2-ol
CID 103859112
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115774534
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 82757959
3-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]benzoic acid
CID 167810781
3-[(2,2,2-trifluoroethylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103235292
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine
CID 82731871
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine
CID 103859199

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(2-methyl-1-benzofuran-3-yl)methylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(2-methyl-1-benzofuran-3-yl)methylamino]propan-1-ol (CID 113462728) is 2,2-difluoro-3-[(2-methyl-1-benzofuran-3-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(2-methyl-1-benzofuran-3-yl)methylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(2-methyl-1-benzofuran-3-yl)methylamino]propan-1-ol is Cc1oc2ccccc2c1CNCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-[(2-methyl-1-benzofuran-3-yl)methylamino]propan-1-ol?
The InChIKey is AEUBCDQYDNSCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-9-11(6-16-7-13(14,15)8-17)10-4-2-3-5-12(10)18-9/h2-5,16-17H,6-8H2,1H3.
What are the key properties of 2,2-difluoro-3-[(2-methyl-1-benzofuran-3-yl)methylamino]propan-1-ol?
2,2-difluoro-3-[(2-methyl-1-benzofuran-3-yl)methylamino]propan-1-ol has a molecular weight of 255.26 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(2-methyl-1-benzofuran-3-yl)methylamino]propan-1-ol is sourced from PubChem (CID 113462728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).