1-[[2-(difluoromethoxy)phenyl]methylamino]-2,3-dimethylpentan-2-ol

C15H23F2NO2 — CID 111118941

IUPAC1-[[2-(difluoromethoxy)phenyl]methylamino]-2,3-dimethylpentan-2-ol
SMILESCCC(C)C(C)(O)CNCc1ccccc1OC(F)F
InChIInChI=1S/C15H23F2NO2/c1-4-11(2)15(3,19)10-18-9-12-7-5-6-8-13(12)20-14(16)17/h5-8,11,14,18-19H,4,9-10H2,1-3H3
InChIKeyYKXDKEREIYEXDR-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.17
Rot. Bonds8

About 1-[[2-(difluoromethoxy)phenyl]methylamino]-2,3-dimethylpentan-2-ol

1-[[2-(difluoromethoxy)phenyl]methylamino]-2,3-dimethylpentan-2-ol (PubChem CID 111118941) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)phenyl]methylamino]-2,3-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)phenyl]methylamino]-2,3-dimethylpentan-2-ol
PubChem CID111118941
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC Name1-[[2-(difluoromethoxy)phenyl]methylamino]-2,3-dimethylpentan-2-ol
SMILESCCC(C)C(C)(O)CNCc1ccccc1OC(F)F
InChIInChI=1S/C15H23F2NO2/c1-4-11(2)15(3,19)10-18-9-12-7-5-6-8-13(12)20-14(16)17/h5-8,11,14,18-19H,4,9-10H2,1-3H3
InChIKeyYKXDKEREIYEXDR-UHFFFAOYSA-N
XLogP3.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-2-methylsulfanylbutan-1-amine
CID 103702078
N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43177333
1-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54912949
N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethoxypropan-1-amine
CID 115655473
N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide
CID 28651324
1-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-3-ol
CID 111468040
N-(2-hydroxy-2,3-dimethylpentyl)-2-(2-methoxyphenyl)acetamide
CID 111446516
N-butan-2-yl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide
CID 60956611
1-(difluoromethoxy)-2-(2,2-dimethylbutyl)benzene
CID 21025673
N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]ethanamine
CID 92983672
(2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide
CID 103929683

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methylamino]-2,3-dimethylpentan-2-ol?
The IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methylamino]-2,3-dimethylpentan-2-ol (CID 111118941) is 1-[[2-(difluoromethoxy)phenyl]methylamino]-2,3-dimethylpentan-2-ol.
What is the SMILES notation for 1-[[2-(difluoromethoxy)phenyl]methylamino]-2,3-dimethylpentan-2-ol?
The canonical SMILES for 1-[[2-(difluoromethoxy)phenyl]methylamino]-2,3-dimethylpentan-2-ol is CCC(C)C(C)(O)CNCc1ccccc1OC(F)F.
What is the InChIKey of 1-[[2-(difluoromethoxy)phenyl]methylamino]-2,3-dimethylpentan-2-ol?
The InChIKey is YKXDKEREIYEXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-4-11(2)15(3,19)10-18-9-12-7-5-6-8-13(12)20-14(16)17/h5-8,11,14,18-19H,4,9-10H2,1-3H3.
What are the key properties of 1-[[2-(difluoromethoxy)phenyl]methylamino]-2,3-dimethylpentan-2-ol?
1-[[2-(difluoromethoxy)phenyl]methylamino]-2,3-dimethylpentan-2-ol has a molecular weight of 287.35 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)phenyl]methylamino]-2,3-dimethylpentan-2-ol is sourced from PubChem (CID 111118941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).