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

C12H18FNO2 — CID 103906950

IUPAC(2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
SMILESCOc1ccc(C(C)NC[C@@H](C)O)cc1F
InChIInChI=1S/C12H18FNO2/c1-8(15)7-14-9(2)10-4-5-12(16-3)11(13)6-10/h4-6,8-9,14-15H,7H2,1-3H3/t8-,9?/m1/s1
InChIKeyLCMGDZLNNLBBSP-VEDVMXKPSA-N
MW227.28 g/mol
LogP1.87
Rot. Bonds5

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

(2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol (PubChem CID 103906950) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is (2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
PubChem CID103906950
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name(2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
SMILESCOc1ccc(C(C)NC[C@@H](C)O)cc1F
InChIInChI=1S/C12H18FNO2/c1-8(15)7-14-9(2)10-4-5-12(16-3)11(13)6-10/h4-6,8-9,14-15H,7H2,1-3H3/t8-,9?/m1/s1
InChIKeyLCMGDZLNNLBBSP-VEDVMXKPSA-N
XLogP1.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.87
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
(2S)-1-[1-(3-fluoro-4-methylsulfanylphenyl)ethylamino]propan-2-ol
CID 103906460
(2R)-1-[1-(3-fluoro-4-methylsulfanylphenyl)ethylamino]propan-2-ol
CID 103906795
1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 63239724
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]but-2-yn-1-amine
CID 115897048
(2S)-1-(2,4-dichlorophenoxy)-3-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 31580914
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
1-(3-fluoro-4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 47010201
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60697208
2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide
CID 43214750
tert-butyl N-[1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-yl]carbamate
CID 102794740

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol?
The IUPAC name of (2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol (CID 103906950) is (2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol is COc1ccc(C(C)NC[C@@H](C)O)cc1F.
What is the InChIKey of (2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol?
The InChIKey is LCMGDZLNNLBBSP-VEDVMXKPSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-8(15)7-14-9(2)10-4-5-12(16-3)11(13)6-10/h4-6,8-9,14-15H,7H2,1-3H3/t8-,9?/m1/s1.
What are the key properties of (2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol?
(2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol has a molecular weight of 227.28 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 103906950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).