2-[[3-(difluoromethyl)phenyl]methylamino]propane-1,3-diol

C11H15F2NO2 — CID 115526569

IUPAC2-[[3-(difluoromethyl)phenyl]methylamino]propane-1,3-diol
SMILESOCC(CO)NCc1cccc(C(F)F)c1
InChIInChI=1S/C11H15F2NO2/c12-11(13)9-3-1-2-8(4-9)5-14-10(6-15)7-16/h1-4,10-11,14-16H,5-7H2
InChIKeySUBSVOPBPACEOZ-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.07
Rot. Bonds6

About 2-[[3-(difluoromethyl)phenyl]methylamino]propane-1,3-diol

2-[[3-(difluoromethyl)phenyl]methylamino]propane-1,3-diol (PubChem CID 115526569) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 2-[[3-(difluoromethyl)phenyl]methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[[3-(difluoromethyl)phenyl]methylamino]propane-1,3-diol
PubChem CID115526569
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name2-[[3-(difluoromethyl)phenyl]methylamino]propane-1,3-diol
SMILESOCC(CO)NCc1cccc(C(F)F)c1
InChIInChI=1S/C11H15F2NO2/c12-11(13)9-3-1-2-8(4-9)5-14-10(6-15)7-16/h1-4,10-11,14-16H,5-7H2
InChIKeySUBSVOPBPACEOZ-UHFFFAOYSA-N
XLogP1.07
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[3-(difluoromethyl)phenyl]methylamino]-3-phenylpropan-1-ol
CID 107860721
2-[(3-ethylphenyl)methylamino]propane-1,3-diol
CID 71028738
1-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]butan-2-amine
CID 113328756
N-[[3-(difluoromethyl)phenyl]methyl]-1,1-dimethoxypropan-2-amine
CID 113328759
4-[[3-(difluoromethyl)phenyl]methylamino]butan-2-ol
CID 115526556
4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol
CID 114331434
N-[[3-(difluoromethyl)phenyl]methyl]hexan-2-amine
CID 115526455
1-[3-(difluoromethyl)phenyl]propan-2-ol
CID 117280458
(2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 28723169
N-[[3-(difluoromethyl)phenyl]methyl]pyrrol-1-amine
CID 115526603
1-(3,4-dichlorophenyl)-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
CID 115526020
2-amino-N-[[3-(difluoromethyl)phenyl]methyl]acetamide
CID 175634041

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(difluoromethyl)phenyl]methylamino]propane-1,3-diol?
The IUPAC name of 2-[[3-(difluoromethyl)phenyl]methylamino]propane-1,3-diol (CID 115526569) is 2-[[3-(difluoromethyl)phenyl]methylamino]propane-1,3-diol.
What is the SMILES notation for 2-[[3-(difluoromethyl)phenyl]methylamino]propane-1,3-diol?
The canonical SMILES for 2-[[3-(difluoromethyl)phenyl]methylamino]propane-1,3-diol is OCC(CO)NCc1cccc(C(F)F)c1.
What is the InChIKey of 2-[[3-(difluoromethyl)phenyl]methylamino]propane-1,3-diol?
The InChIKey is SUBSVOPBPACEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c12-11(13)9-3-1-2-8(4-9)5-14-10(6-15)7-16/h1-4,10-11,14-16H,5-7H2.
What are the key properties of 2-[[3-(difluoromethyl)phenyl]methylamino]propane-1,3-diol?
2-[[3-(difluoromethyl)phenyl]methylamino]propane-1,3-diol has a molecular weight of 231.24 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(difluoromethyl)phenyl]methylamino]propane-1,3-diol is sourced from PubChem (CID 115526569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).