2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methylbutyl)propanamide

C16H25FN2O2 — CID 107718959

IUPAC2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Oc1ccc([C@H](C)N)c(F)c1
InChIInChI=1S/C16H25FN2O2/c1-10(2)7-8-19-16(20)12(4)21-13-5-6-14(11(3)18)15(17)9-13/h5-6,9-12H,7-8,18H2,1-4H3,(H,19,20)/t11-,12?/m0/s1
InChIKeyODTOQZNFVIEBGV-PXYINDEMSA-N
MW296.39 g/mol
LogP2.78
Rot. Bonds7

About 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methylbutyl)propanamide

2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methylbutyl)propanamide (PubChem CID 107718959) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methylbutyl)propanamide
PubChem CID107718959
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Oc1ccc([C@H](C)N)c(F)c1
InChIInChI=1S/C16H25FN2O2/c1-10(2)7-8-19-16(20)12(4)21-13-5-6-14(11(3)18)15(17)9-13/h5-6,9-12H,7-8,18H2,1-4H3,(H,19,20)/t11-,12?/m0/s1
InChIKeyODTOQZNFVIEBGV-PXYINDEMSA-N
XLogP2.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-butylpropanamide
CID 107715865
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide
CID 107718364
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-methylpropanamide
CID 107718925
2-fluoro-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107675560
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(ethylcarbamoyl)propanamide
CID 107718569
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-pentan-3-ylpropanamide
CID 107718581
2-(3-fluoro-4-nitrophenoxy)-N-(3-methylbutyl)propanamide
CID 79827324
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130
(1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine
CID 107891175
2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 107690610
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235714

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methylbutyl)propanamide (CID 107718959) is 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)Oc1ccc([C@H](C)N)c(F)c1.
What is the InChIKey of 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methylbutyl)propanamide?
The InChIKey is ODTOQZNFVIEBGV-PXYINDEMSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-10(2)7-8-19-16(20)12(4)21-13-5-6-14(11(3)18)15(17)9-13/h5-6,9-12H,7-8,18H2,1-4H3,(H,19,20)/t11-,12?/m0/s1.
What are the key properties of 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methylbutyl)propanamide?
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methylbutyl)propanamide has a molecular weight of 296.39 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 107718959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).