1-[[2,4-bis(difluoromethoxy)phenyl]methylamino]-2-methylpropan-2-ol

C13H17F4NO3 — CID 63932490

IUPAC1-[[2,4-bis(difluoromethoxy)phenyl]methylamino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCc1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C13H17F4NO3/c1-13(2,19)7-18-6-8-3-4-9(20-11(14)15)5-10(8)21-12(16)17/h3-5,11-12,18-19H,6-7H2,1-2H3
InChIKeyCIWYTBIXCQYMQO-UHFFFAOYSA-N
MW311.27 g/mol
LogP2.75
Rot. Bonds8

About 1-[[2,4-bis(difluoromethoxy)phenyl]methylamino]-2-methylpropan-2-ol

1-[[2,4-bis(difluoromethoxy)phenyl]methylamino]-2-methylpropan-2-ol (PubChem CID 63932490) has the molecular formula C13H17F4NO3 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-[[2,4-bis(difluoromethoxy)phenyl]methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2,4-bis(difluoromethoxy)phenyl]methylamino]-2-methylpropan-2-ol
PubChem CID63932490
Molecular FormulaC13H17F4NO3
Molecular Weight311.27 g/mol
Exact Mass311.11
IUPAC Name1-[[2,4-bis(difluoromethoxy)phenyl]methylamino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCc1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C13H17F4NO3/c1-13(2,19)7-18-6-8-3-4-9(20-11(14)15)5-10(8)21-12(16)17/h3-5,11-12,18-19H,6-7H2,1-2H3
InChIKeyCIWYTBIXCQYMQO-UHFFFAOYSA-N
XLogP2.75
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]acetate
CID 43503462
N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-2-methylsulfanylethanamine
CID 60658322
1-[2,4-bis(difluoromethoxy)phenyl]-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724428
2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]propanamide
CID 43402355
(2S)-2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]butan-1-ol
CID 104980379
1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine
CID 61270001
N-[[2,4-bis(difluoromethoxy)phenyl]methyl]but-3-yn-2-amine
CID 114414934
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109978
N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1-cyclopropylethanamine
CID 43400195
N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 103933828
N-[[2,4-di(propan-2-yloxy)phenyl]methyl]ethanamine
CID 54804735
1-[[2-(difluoromethoxy)phenyl]methylamino]-2,3-dimethylpentan-2-ol
CID 111118941

Frequently Asked Questions

What is the IUPAC name of 1-[[2,4-bis(difluoromethoxy)phenyl]methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2,4-bis(difluoromethoxy)phenyl]methylamino]-2-methylpropan-2-ol (CID 63932490) is 1-[[2,4-bis(difluoromethoxy)phenyl]methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2,4-bis(difluoromethoxy)phenyl]methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2,4-bis(difluoromethoxy)phenyl]methylamino]-2-methylpropan-2-ol is CC(C)(O)CNCc1ccc(OC(F)F)cc1OC(F)F.
What is the InChIKey of 1-[[2,4-bis(difluoromethoxy)phenyl]methylamino]-2-methylpropan-2-ol?
The InChIKey is CIWYTBIXCQYMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4NO3/c1-13(2,19)7-18-6-8-3-4-9(20-11(14)15)5-10(8)21-12(16)17/h3-5,11-12,18-19H,6-7H2,1-2H3.
What are the key properties of 1-[[2,4-bis(difluoromethoxy)phenyl]methylamino]-2-methylpropan-2-ol?
1-[[2,4-bis(difluoromethoxy)phenyl]methylamino]-2-methylpropan-2-ol has a molecular weight of 311.27 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,4-bis(difluoromethoxy)phenyl]methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 63932490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).