2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide

C15H23FN2O3 — CID 107718364

IUPAC2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1ccc([C@@H](C)N)c(F)c1
InChIInChI=1S/C15H23FN2O3/c1-10(17)13-6-5-12(9-14(13)16)21-11(2)15(19)18-7-4-8-20-3/h5-6,9-11H,4,7-8,17H2,1-3H3,(H,18,19)/t10-,11?/m1/s1
InChIKeyVUQAHBLBRKDXSG-NFJWQWPMSA-N
MW298.36 g/mol
LogP1.77
Rot. Bonds8

About 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide

2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide (PubChem CID 107718364) has the molecular formula C15H23FN2O3 and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide
PubChem CID107718364
Molecular FormulaC15H23FN2O3
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC Name2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1ccc([C@@H](C)N)c(F)c1
InChIInChI=1S/C15H23FN2O3/c1-10(17)13-6-5-12(9-14(13)16)21-11(2)15(19)18-7-4-8-20-3/h5-6,9-11H,4,7-8,17H2,1-3H3,(H,18,19)/t10-,11?/m1/s1
InChIKeyVUQAHBLBRKDXSG-NFJWQWPMSA-N
XLogP1.77
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-butylpropanamide
CID 107715865
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methylbutyl)propanamide
CID 107718959
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 63367457
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-methylpropanamide
CID 107718925
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide
CID 78946961
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 63367423
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 78937481
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-[4-(2-aminopropyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 60906628
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 78930257
2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43083158

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide (CID 107718364) is 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)Oc1ccc([C@@H](C)N)c(F)c1.
What is the InChIKey of 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide?
The InChIKey is VUQAHBLBRKDXSG-NFJWQWPMSA-N. The full InChI is InChI=1S/C15H23FN2O3/c1-10(17)13-6-5-12(9-14(13)16)21-11(2)15(19)18-7-4-8-20-3/h5-6,9-11H,4,7-8,17H2,1-3H3,(H,18,19)/t10-,11?/m1/s1.
What are the key properties of 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide?
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide has a molecular weight of 298.36 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 107718364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).