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

C13H20FNO2 — CID 65103428

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

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

1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol (PubChem CID 65103428) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
PubChem CID65103428
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
SMILESCOc1ccc(C(C)NCC(C)(C)O)c(F)c1
InChIInChI=1S/C13H20FNO2/c1-9(15-8-13(2,3)16)11-6-5-10(17-4)7-12(11)14/h5-7,9,15-16H,8H2,1-4H3
InChIKeyAKDYGZBFKQFKNP-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

(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906609
1,1,1-trifluoro-3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103778620
1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol
CID 113492017
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 55108756
N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 60894649
3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol
CID 66169659
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine
CID 43757588
1-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylpropan-2-ol
CID 107717911
1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 81373628
2-ethyl-2-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propane-1,3-diol
CID 103935667
4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-1-methoxybutan-2-ol
CID 103906152
1-(2-fluoro-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305698

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol (CID 65103428) is 1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol is COc1ccc(C(C)NCC(C)(C)O)c(F)c1.
What is the InChIKey of 1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol?
The InChIKey is AKDYGZBFKQFKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-9(15-8-13(2,3)16)11-6-5-10(17-4)7-12(11)14/h5-7,9,15-16H,8H2,1-4H3.
What are the key properties of 1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol?
1-[1-(2-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-(2-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 65103428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).