2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]propanamide

C12H17FN2O2 — CID 82993586

IUPAC2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]propanamide
SMILESCOc1cc(C(C)NC(C)C(N)=O)ccc1F
InChIInChI=1S/C12H17FN2O2/c1-7(15-8(2)12(14)16)9-4-5-10(13)11(6-9)17-3/h4-8,15H,1-3H3,(H2,14,16)
InChIKeyVIHDICUPPFNISB-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.36
Rot. Bonds5

About 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]propanamide

2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]propanamide (PubChem CID 82993586) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound Name2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]propanamide
PubChem CID82993586
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]propanamide
SMILESCOc1cc(C(C)NC(C)C(N)=O)ccc1F
InChIInChI=1S/C12H17FN2O2/c1-7(15-8(2)12(14)16)9-4-5-10(13)11(6-9)17-3/h4-8,15H,1-3H3,(H2,14,16)
InChIKeyVIHDICUPPFNISB-UHFFFAOYSA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]butanamide
CID 115879477
2-[1-(3,4,5-trimethoxyphenyl)ethylamino]propanamide
CID 43545300
2-[1-(3,4-dimethoxyphenyl)ethylamino]propanoic acid
CID 54959912
methyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate
CID 83069869
2-[1-(3-fluorophenyl)ethylamino]propanamide
CID 43400981
methyl (2S)-2-[1-(4-chloro-3-fluorophenyl)ethylamino]propanoate
CID 83069851
methyl (2S)-2-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methylbutanoate
CID 43452132
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2,2-dimethoxyethanamine
CID 83075210
1-(4-fluoro-3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 83059000
methyl 2-[1-(4-fluorophenyl)ethylamino]propanoate
CID 60677237
2-[1-(3,5-dihydroxyphenyl)ethylamino]propanamide
CID 107705454
methyl 2-[1-(3,4-dimethoxyphenyl)ethylamino]butanoate
CID 115353213

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]propanamide?
The IUPAC name of 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]propanamide (CID 82993586) is 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]propanamide.
What is the SMILES notation for 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]propanamide?
The canonical SMILES for 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]propanamide is COc1cc(C(C)NC(C)C(N)=O)ccc1F.
What is the InChIKey of 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]propanamide?
The InChIKey is VIHDICUPPFNISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-7(15-8(2)12(14)16)9-4-5-10(13)11(6-9)17-3/h4-8,15H,1-3H3,(H2,14,16).
What are the key properties of 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]propanamide?
2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]propanamide has a molecular weight of 240.28 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-[1-(4-fluoro-3-methoxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 82993586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).