2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide

C16H21FN2O2 — CID 107695888

IUPAC2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1ccc(F)cc1CNCCC
InChIInChI=1S/C16H21FN2O2/c1-4-8-18-11-13-10-14(17)6-7-15(13)21-12(3)16(20)19-9-5-2/h2,6-7,10,12,18H,4,8-9,11H2,1,3H3,(H,19,20)
InChIKeyWDANOMQQIYIMJY-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.84
Rot. Bonds8

About 2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide

2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide (PubChem CID 107695888) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
PubChem CID107695888
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1ccc(F)cc1CNCCC
InChIInChI=1S/C16H21FN2O2/c1-4-8-18-11-13-10-14(17)6-7-15(13)21-12(3)16(20)19-9-5-2/h2,6-7,10,12,18H,4,8-9,11H2,1,3H3,(H,19,20)
InChIKeyWDANOMQQIYIMJY-UHFFFAOYSA-N
XLogP1.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide
CID 107698502
N-butyl-2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanamide
CID 107695175
2-[4-chloro-2-(propylaminomethyl)phenoxy]-N-propylpropanamide
CID 43277990
2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide
CID 79157729
N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 107695779
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-prop-2-ynylpropanamide
CID 63368172
2-[4-fluoro-2-(propylaminomethyl)phenoxy]butanamide
CID 107695830
(2S)-2-(2-chloro-4-fluorophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide
CID 96533534
2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 107694652
2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107695944
2-[2-(methylaminomethyl)-4-nitrophenoxy]-N-prop-2-ynylpropanamide
CID 60887470
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 43314361

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide (CID 107695888) is 2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Oc1ccc(F)cc1CNCCC.
What is the InChIKey of 2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide?
The InChIKey is WDANOMQQIYIMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-4-8-18-11-13-10-14(17)6-7-15(13)21-12(3)16(20)19-9-5-2/h2,6-7,10,12,18H,4,8-9,11H2,1,3H3,(H,19,20).
What are the key properties of 2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide?
2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide has a molecular weight of 292.35 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 107695888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).