3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]butanamide

C13H19FN2O2 — CID 115879477

IUPAC3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]butanamide
SMILESCOc1cc(C(C)NC(C)CC(N)=O)ccc1F
InChIInChI=1S/C13H19FN2O2/c1-8(6-13(15)17)16-9(2)10-4-5-11(14)12(7-10)18-3/h4-5,7-9,16H,6H2,1-3H3,(H2,15,17)
InChIKeyLRFJCWHUDSXXSA-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.75
Rot. Bonds6

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

3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]butanamide (PubChem CID 115879477) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]butanamide.

Molecular Properties

Compound Name3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]butanamide
PubChem CID115879477
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]butanamide
SMILESCOc1cc(C(C)NC(C)CC(N)=O)ccc1F
InChIInChI=1S/C13H19FN2O2/c1-8(6-13(15)17)16-9(2)10-4-5-11(14)12(7-10)18-3/h4-5,7-9,16H,6H2,1-3H3,(H2,15,17)
InChIKeyLRFJCWHUDSXXSA-UHFFFAOYSA-N
XLogP1.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]propanamide
CID 82993586
methyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate
CID 83069869
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 83076160
3-[1-(4-tert-butylphenyl)ethylamino]butanamide
CID 115676438
methyl (3S)-3-amino-3-(4-fluoro-3-methoxyphenyl)propanoate;hydrochloride
CID 171241570
3-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanamide
CID 115676401
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2,2-dimethoxyethanamine
CID 83075210
3-[1-(4-ethylphenyl)ethylamino]butanamide
CID 71902063
methyl 2-[1-(3,4-dimethoxyphenyl)ethylamino]butanoate
CID 115353213
(3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide
CID 96528244
3-[2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116462
(2S)-4-amino-2-[(4-fluoro-3-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 81282859

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]butanamide?
The IUPAC name of 3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]butanamide (CID 115879477) is 3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]butanamide.
What is the SMILES notation for 3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]butanamide?
The canonical SMILES for 3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]butanamide is COc1cc(C(C)NC(C)CC(N)=O)ccc1F.
What is the InChIKey of 3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]butanamide?
The InChIKey is LRFJCWHUDSXXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-8(6-13(15)17)16-9(2)10-4-5-11(14)12(7-10)18-3/h4-5,7-9,16H,6H2,1-3H3,(H2,15,17).
What are the key properties of 3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]butanamide?
3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]butanamide has a molecular weight of 254.30 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]butanamide is sourced from PubChem (CID 115879477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).