3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propanamide

C14H21FN2O2 — CID 107688867

IUPAC3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propanamide
SMILESCC(C)CNCc1ccc(OCCC(N)=O)c(F)c1
InChIInChI=1S/C14H21FN2O2/c1-10(2)8-17-9-11-3-4-13(12(15)7-11)19-6-5-14(16)18/h3-4,7,10,17H,5-6,8-9H2,1-2H3,(H2,16,18)
InChIKeyILOKZWURFONXEN-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.83
Rot. Bonds8

About 3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propanamide

3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propanamide (PubChem CID 107688867) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propanamide
PubChem CID107688867
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propanamide
SMILESCC(C)CNCc1ccc(OCCC(N)=O)c(F)c1
InChIInChI=1S/C14H21FN2O2/c1-10(2)8-17-9-11-3-4-13(12(15)7-11)19-6-5-14(16)18/h3-4,7,10,17H,5-6,8-9H2,1-2H3,(H2,16,18)
InChIKeyILOKZWURFONXEN-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-fluoro-4-(2-fluoroethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107689008
N-[[3-fluoro-4-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107688715
N-[[4-(2-ethoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107688883
2-[2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]anilino]acetamide
CID 63058426
2-[4-(ethylaminomethyl)-2-fluorophenoxy]-N-(2-methylpropyl)acetamide
CID 107687125
2-[(4-ethoxy-3-fluorophenyl)methylamino]acetamide
CID 115259899
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107688798
1-ethoxy-3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 107688740
methyl 2-fluoro-4-[(2-methylpropylamino)methyl]benzoate
CID 106699480
3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63057144
3-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide
CID 107689352
N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405486

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propanamide?
The IUPAC name of 3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propanamide (CID 107688867) is 3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propanamide.
What is the SMILES notation for 3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propanamide?
The canonical SMILES for 3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propanamide is CC(C)CNCc1ccc(OCCC(N)=O)c(F)c1.
What is the InChIKey of 3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propanamide?
The InChIKey is ILOKZWURFONXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-10(2)8-17-9-11-3-4-13(12(15)7-11)19-6-5-14(16)18/h3-4,7,10,17H,5-6,8-9H2,1-2H3,(H2,16,18).
What are the key properties of 3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propanamide?
3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propanamide has a molecular weight of 268.33 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propanamide is sourced from PubChem (CID 107688867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).