1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol

C13H19F2NO — CID 111107872

IUPAC1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol
SMILESCC(O)CN(Cc1cc(F)ccc1F)C(C)C
InChIInChI=1S/C13H19F2NO/c1-9(2)16(7-10(3)17)8-11-6-12(14)4-5-13(11)15/h4-6,9-10,17H,7-8H2,1-3H3
InChIKeyVQPRKBSGCNCAAO-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.56
Rot. Bonds5

About 1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol

1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol (PubChem CID 111107872) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol
PubChem CID111107872
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol
SMILESCC(O)CN(Cc1cc(F)ccc1F)C(C)C
InChIInChI=1S/C13H19F2NO/c1-9(2)16(7-10(3)17)8-11-6-12(14)4-5-13(11)15/h4-6,9-10,17H,7-8H2,1-3H3
InChIKeyVQPRKBSGCNCAAO-UHFFFAOYSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-difluorophenyl)methyl-propan-2-ylamino]ethanol
CID 62021731
3-bromo-N-[(2,5-difluorophenyl)methyl]-N-propan-2-ylpropan-1-amine
CID 80680405
1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-ol
CID 167861817
1-[(2-chloro-5-fluorophenyl)methyl-methylamino]propan-2-ol
CID 102609429
1-[(2,5-dimethoxyphenyl)methyl-propan-2-ylamino]propan-2-ol
CID 111107838
4-amino-1-[(2,5-difluorophenyl)methyl-methylamino]butan-2-ol
CID 117039211
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol
CID 111107929
2-[(5-fluoro-2-methylphenyl)methyl-propan-2-ylamino]ethanol
CID 115970192
2-[(2,5-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide
CID 76928067
3-[(2,5-difluorophenyl)methyl-methylamino]-2-methylpropanenitrile
CID 55148841
1-[(2,4-difluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol
CID 42682400
N-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141045

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol (CID 111107872) is 1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol is CC(O)CN(Cc1cc(F)ccc1F)C(C)C.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol?
The InChIKey is VQPRKBSGCNCAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-9(2)16(7-10(3)17)8-11-6-12(14)4-5-13(11)15/h4-6,9-10,17H,7-8H2,1-3H3.
What are the key properties of 1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol?
1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol has a molecular weight of 243.30 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol is sourced from PubChem (CID 111107872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).