N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide

C14H21FN2O2 — CID 115188798

IUPACN-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide
SMILESCCC(CNC)C(=O)N(C)c1cc(F)ccc1OC
InChIInChI=1S/C14H21FN2O2/c1-5-10(9-16-2)14(18)17(3)12-8-11(15)6-7-13(12)19-4/h6-8,10,16H,5,9H2,1-4H3
InChIKeyCMDSALAAABPFEH-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.04
Rot. Bonds6

About N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide

N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide (PubChem CID 115188798) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide
PubChem CID115188798
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC NameN-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide
SMILESCCC(CNC)C(=O)N(C)c1cc(F)ccc1OC
InChIInChI=1S/C14H21FN2O2/c1-5-10(9-16-2)14(18)17(3)12-8-11(15)6-7-13(12)19-4/h6-8,10,16H,5,9H2,1-4H3
InChIKeyCMDSALAAABPFEH-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-2-(hydroxymethyl)-N-methylbutanamide
CID 115186443
1-(5-fluoro-2-methoxyphenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586971
1-(4-fluorophenyl)-2-(methylaminomethyl)butan-1-one
CID 116923852
methyl 2-(5-fluoro-2-methoxybenzoyl)butanoate
CID 116923588
2-[(5-fluoro-2-methoxy-N-methylanilino)methyl]butanenitrile
CID 115253621
N-(4-fluoro-2-methoxyphenyl)-N-methylacetamide
CID 134094138
2-(aminomethyl)-N-(5-fluoro-2-methoxyphenyl)butanamide
CID 115186809
N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline
CID 60961963
N-[(2-methoxy-5-methylphenyl)methyl]-2-(methylaminomethyl)butanamide
CID 115188857
N-(2-methoxy-5-methylphenyl)-N-methyl-2-(methylamino)acetamide
CID 82494481
2-ethyl-N-(2-methoxy-5-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 115254869
3-(2-methoxy-N,5-dimethylanilino)-2-(methylamino)-3-oxopropanoic acid
CID 115189358

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide?
The IUPAC name of N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide (CID 115188798) is N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide.
What is the SMILES notation for N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide?
The canonical SMILES for N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide is CCC(CNC)C(=O)N(C)c1cc(F)ccc1OC.
What is the InChIKey of N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide?
The InChIKey is CMDSALAAABPFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-5-10(9-16-2)14(18)17(3)12-8-11(15)6-7-13(12)19-4/h6-8,10,16H,5,9H2,1-4H3.
What are the key properties of N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide?
N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide has a molecular weight of 268.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide is sourced from PubChem (CID 115188798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).