3-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-propan-2-ylpropanamide

C14H21FN2O2 — CID 63368106

IUPAC3-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOc1cc(F)ccc1[C@H](C)N
InChIInChI=1S/C14H21FN2O2/c1-9(2)17-14(18)6-7-19-13-8-11(15)4-5-12(13)10(3)16/h4-5,8-10H,6-7,16H2,1-3H3,(H,17,18)/t10-/m0/s1
InChIKeyYOSLSNICEDSQNX-JTQLQIEISA-N
MW268.33 g/mol
LogP2.14
Rot. Bonds6

About 3-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-propan-2-ylpropanamide

3-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-propan-2-ylpropanamide (PubChem CID 63368106) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 3-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-propan-2-ylpropanamide
PubChem CID63368106
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name3-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOc1cc(F)ccc1[C@H](C)N
InChIInChI=1S/C14H21FN2O2/c1-9(2)17-14(18)6-7-19-13-8-11(15)4-5-12(13)10(3)16/h4-5,8-10H,6-7,16H2,1-3H3,(H,17,18)/t10-/m0/s1
InChIKeyYOSLSNICEDSQNX-JTQLQIEISA-N
XLogP2.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1-aminoethyl)-5-fluorophenoxy]-N-cyclopropylpropanamide
CID 55148220
3-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide
CID 107698389
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-2-ylacetamide
CID 78935876
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide
CID 78936103
3-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-propan-2-ylpropanamide
CID 55189402
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63064235
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2-methylpropyl)acetamide
CID 63368195
2-[2-(1-aminoethyl)-5-fluorophenoxy]acetamide
CID 63066360
5-fluoro-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzenesulfonyl chloride
CID 82910757
1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104560887
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methoxyethyl)acetamide
CID 63066535
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-cyclopentylacetamide
CID 78935687

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-propan-2-ylpropanamide (CID 63368106) is 3-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCOc1cc(F)ccc1[C@H](C)N.
What is the InChIKey of 3-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-propan-2-ylpropanamide?
The InChIKey is YOSLSNICEDSQNX-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-9(2)17-14(18)6-7-19-13-8-11(15)4-5-12(13)10(3)16/h4-5,8-10H,6-7,16H2,1-3H3,(H,17,18)/t10-/m0/s1.
What are the key properties of 3-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-propan-2-ylpropanamide?
3-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-propan-2-ylpropanamide has a molecular weight of 268.33 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 63368106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).