3-[4-(2-aminobutyl)-2-fluorophenoxy]-N-propan-2-ylpropanamide

C16H25FN2O2 — CID 107693264

IUPAC3-[4-(2-aminobutyl)-2-fluorophenoxy]-N-propan-2-ylpropanamide
SMILESCCC(N)Cc1ccc(OCCC(=O)NC(C)C)c(F)c1
InChIInChI=1S/C16H25FN2O2/c1-4-13(18)9-12-5-6-15(14(17)10-12)21-8-7-16(20)19-11(2)3/h5-6,10-11,13H,4,7-9,18H2,1-3H3,(H,19,20)
InChIKeyPOAWIBWPFBMTFJ-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.40
Rot. Bonds8

About 3-[4-(2-aminobutyl)-2-fluorophenoxy]-N-propan-2-ylpropanamide

3-[4-(2-aminobutyl)-2-fluorophenoxy]-N-propan-2-ylpropanamide (PubChem CID 107693264) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-[4-(2-aminobutyl)-2-fluorophenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[4-(2-aminobutyl)-2-fluorophenoxy]-N-propan-2-ylpropanamide
PubChem CID107693264
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name3-[4-(2-aminobutyl)-2-fluorophenoxy]-N-propan-2-ylpropanamide
SMILESCCC(N)Cc1ccc(OCCC(=O)NC(C)C)c(F)c1
InChIInChI=1S/C16H25FN2O2/c1-4-13(18)9-12-5-6-15(14(17)10-12)21-8-7-16(20)19-11(2)3/h5-6,10-11,13H,4,7-9,18H2,1-3H3,(H,19,20)
InChIKeyPOAWIBWPFBMTFJ-UHFFFAOYSA-N
XLogP2.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[4-(2-aminobutyl)-2-fluorophenoxy]propanoate
CID 107693330
1-[3-fluoro-4-(2-propan-2-ylsulfonylethoxy)phenyl]butan-2-amine
CID 107693431
1-[4-[(E)-but-2-enoxy]-3-fluorophenyl]butan-2-amine
CID 107693440
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 107693284
3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide
CID 60907156
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide
CID 107692678
1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine
CID 107693258
3-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-propan-2-ylpropanamide
CID 63368106
2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107687356
N-ethyl-3-[2-fluoro-4-(hydroxymethyl)phenoxy]propanamide
CID 107690752
2-[4-(2-aminobutyl)-2-fluorophenoxy]-N-prop-2-ynylpropanamide
CID 107693370
3-[3-(2-aminopropyl)phenoxy]-N-propan-2-ylpropanamide
CID 62628251

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminobutyl)-2-fluorophenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[4-(2-aminobutyl)-2-fluorophenoxy]-N-propan-2-ylpropanamide (CID 107693264) is 3-[4-(2-aminobutyl)-2-fluorophenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[4-(2-aminobutyl)-2-fluorophenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[4-(2-aminobutyl)-2-fluorophenoxy]-N-propan-2-ylpropanamide is CCC(N)Cc1ccc(OCCC(=O)NC(C)C)c(F)c1.
What is the InChIKey of 3-[4-(2-aminobutyl)-2-fluorophenoxy]-N-propan-2-ylpropanamide?
The InChIKey is POAWIBWPFBMTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-4-13(18)9-12-5-6-15(14(17)10-12)21-8-7-16(20)19-11(2)3/h5-6,10-11,13H,4,7-9,18H2,1-3H3,(H,19,20).
What are the key properties of 3-[4-(2-aminobutyl)-2-fluorophenoxy]-N-propan-2-ylpropanamide?
3-[4-(2-aminobutyl)-2-fluorophenoxy]-N-propan-2-ylpropanamide has a molecular weight of 296.39 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminobutyl)-2-fluorophenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 107693264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).