1-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N,2-trimethylpropan-2-amine

C14H23FN2O — CID 79680037

IUPAC1-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N,2-trimethylpropan-2-amine
SMILESC[C@H](N)c1ccc(OCC(C)(C)N(C)C)c(F)c1
InChIInChI=1S/C14H23FN2O/c1-10(16)11-6-7-13(12(15)8-11)18-9-14(2,3)17(4)5/h6-8,10H,9,16H2,1-5H3/t10-/m0/s1
InChIKeyBUPBBQMXVZGUGS-JTQLQIEISA-N
MW254.35 g/mol
LogP2.56
Rot. Bonds5

About 1-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N,2-trimethylpropan-2-amine

1-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N,2-trimethylpropan-2-amine (PubChem CID 79680037) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N,2-trimethylpropan-2-amine
PubChem CID79680037
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name1-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N,2-trimethylpropan-2-amine
SMILESC[C@H](N)c1ccc(OCC(C)(C)N(C)C)c(F)c1
InChIInChI=1S/C14H23FN2O/c1-10(16)11-6-7-13(12(15)8-11)18-9-14(2,3)17(4)5/h6-8,10H,9,16H2,1-5H3/t10-/m0/s1
InChIKeyBUPBBQMXVZGUGS-JTQLQIEISA-N
XLogP2.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]ethanamine
CID 82956090
1-[4-(4,4-dimethylpentoxy)-3-fluorophenyl]ethanamine
CID 114209334
1-[4-[(1S)-1-aminoethyl]phenoxy]-N,N,2-trimethylpropan-2-amine
CID 79680323
(1R)-1-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 29003344
(1R)-1-[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 104929522
1-[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114471761
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine
CID 118989596
ethane;1-(2-fluoro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol
CID 142399478
(1R)-1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63937359
6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]hexan-1-ol
CID 107702850

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N,2-trimethylpropan-2-amine (CID 79680037) is 1-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N,2-trimethylpropan-2-amine is C[C@H](N)c1ccc(OCC(C)(C)N(C)C)c(F)c1.
What is the InChIKey of 1-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N,2-trimethylpropan-2-amine?
The InChIKey is BUPBBQMXVZGUGS-JTQLQIEISA-N. The full InChI is InChI=1S/C14H23FN2O/c1-10(16)11-6-7-13(12(15)8-11)18-9-14(2,3)17(4)5/h6-8,10H,9,16H2,1-5H3/t10-/m0/s1.
What are the key properties of 1-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N,2-trimethylpropan-2-amine?
1-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N,2-trimethylpropan-2-amine has a molecular weight of 254.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 79680037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).