3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-4,4-dimethylpentan-1-ol

C16H25F2NO2 — CID 104925982

IUPAC3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-4,4-dimethylpentan-1-ol
SMILESCC(NC(CCO)C(C)(C)C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H25F2NO2/c1-11(19-14(9-10-20)16(2,3)4)12-5-7-13(8-6-12)21-15(17)18/h5-8,11,14-15,19-20H,9-10H2,1-4H3
InChIKeyKHIDFLUZONQIQD-UHFFFAOYSA-N
MW301.38 g/mol
LogP3.74
Rot. Bonds7

About 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-4,4-dimethylpentan-1-ol

3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-4,4-dimethylpentan-1-ol (PubChem CID 104925982) has the molecular formula C16H25F2NO2 and a molecular weight of 301.38 g/mol. Its IUPAC name is 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-4,4-dimethylpentan-1-ol
PubChem CID104925982
Molecular FormulaC16H25F2NO2
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-4,4-dimethylpentan-1-ol
SMILESCC(NC(CCO)C(C)(C)C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H25F2NO2/c1-11(19-14(9-10-20)16(2,3)4)12-5-7-13(8-6-12)21-15(17)18/h5-8,11,14-15,19-20H,9-10H2,1-4H3
InChIKeyKHIDFLUZONQIQD-UHFFFAOYSA-N
XLogP3.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3,5-dimethylphenyl)ethylamino]-4,4-dimethylpentan-1-ol
CID 104926046
3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-4,4-dimethylpentan-1-ol
CID 104663604
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-1-methylsulfanylpropan-2-amine
CID 115663811
3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol
CID 65031608
(1S)-N-tert-butylsulfanyl-1-[4-(difluoromethoxy)phenyl]ethanamine
CID 89207629
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-ethylsulfanylbutan-2-amine
CID 115725535
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 69247038
1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 79037238
3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-hydroxypropanamide
CID 106171785
3-[1-[4-(difluoromethoxy)phenyl]ethylamino]pentanenitrile
CID 62646051
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 43097278
N'-[1-[4-(difluoromethoxy)phenyl]ethyl]butane-1,4-diamine
CID 60895427

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-4,4-dimethylpentan-1-ol (CID 104925982) is 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-4,4-dimethylpentan-1-ol is CC(NC(CCO)C(C)(C)C)c1ccc(OC(F)F)cc1.
What is the InChIKey of 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is KHIDFLUZONQIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO2/c1-11(19-14(9-10-20)16(2,3)4)12-5-7-13(8-6-12)21-15(17)18/h5-8,11,14-15,19-20H,9-10H2,1-4H3.
What are the key properties of 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-4,4-dimethylpentan-1-ol?
3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 301.38 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 104925982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).