1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol

C14H21F2NO — CID 103675866

IUPAC1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNCc1cc(F)ccc1F
InChIInChI=1S/C14H21F2NO/c1-14(2,3)7-12(18)9-17-8-10-6-11(15)4-5-13(10)16/h4-6,12,17-18H,7-9H2,1-3H3
InChIKeyMWIBLQWAFYKAOE-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.85
Rot. Bonds5

About 1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol

1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol (PubChem CID 103675866) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol
PubChem CID103675866
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNCc1cc(F)ccc1F
InChIInChI=1S/C14H21F2NO/c1-14(2,3)7-12(18)9-17-8-10-6-11(15)4-5-13(10)16/h4-6,12,17-18H,7-9H2,1-3H3
InChIKeyMWIBLQWAFYKAOE-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-difluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421909
N-[(2,5-difluorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966818
1-[(3-chloro-4-fluorophenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 113338450
1-[(2,4-difluoro-5-nitrophenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 107151481
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
1-[(2,5-difluorophenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 63794811
1-[(2,5-difluorophenyl)methylamino]-3-morpholin-4-ylpropan-2-ol
CID 63032651
2-fluoro-5-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]benzonitrile
CID 107880610
[(2,5-difluorophenyl)methylamino]methanol
CID 115228968
1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol
CID 63794992
2-[(2,5-difluorophenyl)methylamino]-1-phenylethanol
CID 43499154
1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol
CID 107151876

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol (CID 103675866) is 1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNCc1cc(F)ccc1F.
What is the InChIKey of 1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol?
The InChIKey is MWIBLQWAFYKAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-14(2,3)7-12(18)9-17-8-10-6-11(15)4-5-13(10)16/h4-6,12,17-18H,7-9H2,1-3H3.
What are the key properties of 1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol?
1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol has a molecular weight of 257.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 103675866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).