2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-prop-2-ynylpropanamide

C14H17FN2O2 — CID 63368172

IUPAC2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1cc(F)ccc1[C@@H](C)N
InChIInChI=1S/C14H17FN2O2/c1-4-7-17-14(18)10(3)19-13-8-11(15)5-6-12(13)9(2)16/h1,5-6,8-10H,7,16H2,2-3H3,(H,17,18)/t9-,10?/m1/s1
InChIKeyDILGKLGKHXHTTR-YHMJZVADSA-N
MW264.30 g/mol
LogP1.36
Rot. Bonds5

About 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-prop-2-ynylpropanamide

2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-prop-2-ynylpropanamide (PubChem CID 63368172) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-prop-2-ynylpropanamide
PubChem CID63368172
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1cc(F)ccc1[C@@H](C)N
InChIInChI=1S/C14H17FN2O2/c1-4-7-17-14(18)10(3)19-13-8-11(15)5-6-12(13)9(2)16/h1,5-6,8-10H,7,16H2,2-3H3,(H,17,18)/t9-,10?/m1/s1
InChIKeyDILGKLGKHXHTTR-YHMJZVADSA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 63368087
2-[2-(1-aminoethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 60879566
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-3-ylpropanamide
CID 63367985
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-carbamoylpropanamide
CID 78935934
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-butan-2-ylpropanamide
CID 63368153
2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide
CID 134038041
2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 107695888
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N,N-diethylpropanamide
CID 63065663
(2S)-2-(2-chloro-4-fluorophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide
CID 96533534
2-fluoro-6-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxybenzoic acid
CID 107013925
2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide
CID 43116075
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 78932178

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-prop-2-ynylpropanamide (CID 63368172) is 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Oc1cc(F)ccc1[C@@H](C)N.
What is the InChIKey of 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-prop-2-ynylpropanamide?
The InChIKey is DILGKLGKHXHTTR-YHMJZVADSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-4-7-17-14(18)10(3)19-13-8-11(15)5-6-12(13)9(2)16/h1,5-6,8-10H,7,16H2,2-3H3,(H,17,18)/t9-,10?/m1/s1.
What are the key properties of 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-prop-2-ynylpropanamide?
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-prop-2-ynylpropanamide has a molecular weight of 264.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 63368172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).