3-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol

C13H19F2NO3 — CID 111121970

IUPAC3-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol
SMILESCOc1ccc(OC(F)F)c(CNCC(C)CO)c1
InChIInChI=1S/C13H19F2NO3/c1-9(8-17)6-16-7-10-5-11(18-2)3-4-12(10)19-13(14)15/h3-5,9,13,16-17H,6-8H2,1-2H3
InChIKeyUDDFHUJYFJKZGI-UHFFFAOYSA-N
MW275.29 g/mol
LogP2.01
Rot. Bonds8

About 3-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol

3-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol (PubChem CID 111121970) has the molecular formula C13H19F2NO3 and a molecular weight of 275.29 g/mol. Its IUPAC name is 3-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol
PubChem CID111121970
Molecular FormulaC13H19F2NO3
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name3-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol
SMILESCOc1ccc(OC(F)F)c(CNCC(C)CO)c1
InChIInChI=1S/C13H19F2NO3/c1-9(8-17)6-16-7-10-5-11(18-2)3-4-12(10)19-13(14)15/h3-5,9,13,16-17H,6-8H2,1-2H3
InChIKeyUDDFHUJYFJKZGI-UHFFFAOYSA-N
XLogP2.01
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63062845
methyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate
CID 63062325
4-[[2-(difluoromethoxy)-4,5-dimethylphenyl]methylamino]-3-methylbutan-1-ol
CID 111469652
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methylbutan-1-amine
CID 62693915
3-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1,1,2-trimethylguanidine
CID 86781177
(2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide
CID 119816354
1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111449517
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119816348
(2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119816353
1-[(2,5-dimethoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol
CID 111119235
1-bromo-3-[2-(difluoromethoxy)-5-methoxyphenyl]propan-2-one
CID 134616094
(1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol
CID 94809006

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol?
The IUPAC name of 3-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol (CID 111121970) is 3-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol is COc1ccc(OC(F)F)c(CNCC(C)CO)c1.
What is the InChIKey of 3-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol?
The InChIKey is UDDFHUJYFJKZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO3/c1-9(8-17)6-16-7-10-5-11(18-2)3-4-12(10)19-13(14)15/h3-5,9,13,16-17H,6-8H2,1-2H3.
What are the key properties of 3-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol?
3-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol has a molecular weight of 275.29 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 111121970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).