3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-4,4-dimethylpentan-1-ol

C16H26FNO2 — CID 104663604

IUPAC3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-4,4-dimethylpentan-1-ol
SMILESCOc1ccc(C(C)NC(CCO)C(C)(C)C)cc1F
InChIInChI=1S/C16H26FNO2/c1-11(18-15(8-9-19)16(2,3)4)12-6-7-14(20-5)13(17)10-12/h6-7,10-11,15,18-19H,8-9H2,1-5H3
InChIKeyGSBIZXMYSCTKQW-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.28
Rot. Bonds6

About 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-4,4-dimethylpentan-1-ol

3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-4,4-dimethylpentan-1-ol (PubChem CID 104663604) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-4,4-dimethylpentan-1-ol
PubChem CID104663604
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Name3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-4,4-dimethylpentan-1-ol
SMILESCOc1ccc(C(C)NC(CCO)C(C)(C)C)cc1F
InChIInChI=1S/C16H26FNO2/c1-11(18-15(8-9-19)16(2,3)4)12-6-7-14(20-5)13(17)10-12/h6-7,10-11,15,18-19H,8-9H2,1-5H3
InChIKeyGSBIZXMYSCTKQW-UHFFFAOYSA-N
XLogP3.28
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
(1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350630
3-[1-(3,5-dimethylphenyl)ethylamino]-4,4-dimethylpentan-1-ol
CID 104926046
1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 63239724
(2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103788710
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pent-4-yn-2-amine
CID 115725240
3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-4,4-dimethylpentan-1-ol
CID 104925982
(1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine
CID 81350523
3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylsulfanylbutan-1-ol
CID 103785121
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60697208
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 46828553
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]but-3-en-2-amine
CID 115727846

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-4,4-dimethylpentan-1-ol (CID 104663604) is 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-4,4-dimethylpentan-1-ol is COc1ccc(C(C)NC(CCO)C(C)(C)C)cc1F.
What is the InChIKey of 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is GSBIZXMYSCTKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-11(18-15(8-9-19)16(2,3)4)12-6-7-14(20-5)13(17)10-12/h6-7,10-11,15,18-19H,8-9H2,1-5H3.
What are the key properties of 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-4,4-dimethylpentan-1-ol?
3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 283.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 104663604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).