2-[[4-(difluoromethoxy)phenyl]methylamino]-3-methoxypropan-1-ol

C12H17F2NO3 — CID 114078765

IUPAC2-[[4-(difluoromethoxy)phenyl]methylamino]-3-methoxypropan-1-ol
SMILESCOCC(CO)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C12H17F2NO3/c1-17-8-10(7-16)15-6-9-2-4-11(5-3-9)18-12(13)14/h2-5,10,12,15-16H,6-8H2,1H3
InChIKeyJXISILHPJZNERW-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.38
Rot. Bonds8

About 2-[[4-(difluoromethoxy)phenyl]methylamino]-3-methoxypropan-1-ol

2-[[4-(difluoromethoxy)phenyl]methylamino]-3-methoxypropan-1-ol (PubChem CID 114078765) has the molecular formula C12H17F2NO3 and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)phenyl]methylamino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)phenyl]methylamino]-3-methoxypropan-1-ol
PubChem CID114078765
Molecular FormulaC12H17F2NO3
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name2-[[4-(difluoromethoxy)phenyl]methylamino]-3-methoxypropan-1-ol
SMILESCOCC(CO)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C12H17F2NO3/c1-17-8-10(7-16)15-6-9-2-4-11(5-3-9)18-12(13)14/h2-5,10,12,15-16H,6-8H2,1H3
InChIKeyJXISILHPJZNERW-UHFFFAOYSA-N
XLogP1.38
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]hex-5-yn-3-amine
CID 115654929
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methoxypropan-1-ol
CID 106187407
2-[(4-propoxyphenyl)methylamino]propane-1,3-diol
CID 65312708
N-[[4-(difluoromethoxy)phenyl]methyl]-4-methylpent-1-yn-3-amine
CID 114202061
4-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]-2,6-dimethylphenol
CID 114155638
N-[[4-(difluoromethoxy)phenyl]methyl]pentan-2-amine
CID 43177714
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methylprop-2-en-1-amine
CID 115574779
4-[1-[[4-(difluoromethoxy)phenyl]methylamino]ethyl]phenol
CID 43205404
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
(2R)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]butan-1-ol
CID 28723108
5-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]-1-benzofuran-2-carboxylic acid
CID 106191024
1-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-2-amine
CID 106180782

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methylamino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methylamino]-3-methoxypropan-1-ol (CID 114078765) is 2-[[4-(difluoromethoxy)phenyl]methylamino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[[4-(difluoromethoxy)phenyl]methylamino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[[4-(difluoromethoxy)phenyl]methylamino]-3-methoxypropan-1-ol is COCC(CO)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[[4-(difluoromethoxy)phenyl]methylamino]-3-methoxypropan-1-ol?
The InChIKey is JXISILHPJZNERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3/c1-17-8-10(7-16)15-6-9-2-4-11(5-3-9)18-12(13)14/h2-5,10,12,15-16H,6-8H2,1H3.
What are the key properties of 2-[[4-(difluoromethoxy)phenyl]methylamino]-3-methoxypropan-1-ol?
2-[[4-(difluoromethoxy)phenyl]methylamino]-3-methoxypropan-1-ol has a molecular weight of 261.27 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)phenyl]methylamino]-3-methoxypropan-1-ol is sourced from PubChem (CID 114078765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).