3-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylbutanamide

C14H21FN2O2 — CID 115154397

IUPAC3-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylbutanamide
SMILESCOc1ccc(F)cc1CCN(C)C(=O)CC(C)N
InChIInChI=1S/C14H21FN2O2/c1-10(16)8-14(18)17(2)7-6-11-9-12(15)4-5-13(11)19-3/h4-5,9-10H,6-8,16H2,1-3H3
InChIKeyFCZXSORMLKGPSE-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.57
Rot. Bonds6

About 3-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylbutanamide

3-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylbutanamide (PubChem CID 115154397) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 3-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylbutanamide
PubChem CID115154397
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name3-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylbutanamide
SMILESCOc1ccc(F)cc1CCN(C)C(=O)CC(C)N
InChIInChI=1S/C14H21FN2O2/c1-10(16)8-14(18)17(2)7-6-11-9-12(15)4-5-13(11)19-3/h4-5,9-10H,6-8,16H2,1-3H3
InChIKeyFCZXSORMLKGPSE-UHFFFAOYSA-N
XLogP1.57
TPSA55.56 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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 94694137
2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 117042003
1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-methylhydrazine
CID 82282134
2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 112518374
3-amino-N-[(2,4-difluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119703011
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128249
3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94687738
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194745
3-amino-N-methyl-N-(2-naphthalen-1-ylethyl)butanamide
CID 119758698
2-(5-fluoro-2-methoxyphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258985
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]propane-1,2-diamine
CID 115196753
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 62637971

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylbutanamide?
The IUPAC name of 3-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylbutanamide (CID 115154397) is 3-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylbutanamide.
What is the SMILES notation for 3-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylbutanamide?
The canonical SMILES for 3-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylbutanamide is COc1ccc(F)cc1CCN(C)C(=O)CC(C)N.
What is the InChIKey of 3-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylbutanamide?
The InChIKey is FCZXSORMLKGPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-10(16)8-14(18)17(2)7-6-11-9-12(15)4-5-13(11)19-3/h4-5,9-10H,6-8,16H2,1-3H3.
What are the key properties of 3-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylbutanamide?
3-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylbutanamide has a molecular weight of 268.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylbutanamide is sourced from PubChem (CID 115154397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).