1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol

C13H20FNO2 — CID 63239724

IUPAC1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
SMILESCOc1ccc(C(C)NCC(C)(C)O)cc1F
InChIInChI=1S/C13H20FNO2/c1-9(15-8-13(2,3)16)10-5-6-12(17-4)11(14)7-10/h5-7,9,15-16H,8H2,1-4H3
InChIKeyUTAWHAJZKDPPQH-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.26
Rot. Bonds5

About 1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol

1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol (PubChem CID 63239724) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
PubChem CID63239724
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
SMILESCOc1ccc(C(C)NCC(C)(C)O)cc1F
InChIInChI=1S/C13H20FNO2/c1-9(15-8-13(2,3)16)10-5-6-12(17-4)11(14)7-10/h5-7,9,15-16H,8H2,1-4H3
InChIKeyUTAWHAJZKDPPQH-UHFFFAOYSA-N
XLogP2.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104628894
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60697208
(2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906950
2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol
CID 63239416
1-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 111121657
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]but-2-yn-1-amine
CID 115897048
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]prop-2-en-1-amine
CID 115575005
1-(3-fluoro-4-methoxyphenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 60697209
4-bromo-2,6-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 65469450
1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 63239100
2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide
CID 43214750

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol (CID 63239724) is 1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol is COc1ccc(C(C)NCC(C)(C)O)cc1F.
What is the InChIKey of 1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol?
The InChIKey is UTAWHAJZKDPPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-9(15-8-13(2,3)16)10-5-6-12(17-4)11(14)7-10/h5-7,9,15-16H,8H2,1-4H3.
What are the key properties of 1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol?
1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol has a molecular weight of 241.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 63239724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).