2-[4-(2-aminopropyl)-2-fluorophenoxy]-N-ethyl-N-methylacetamide

C14H21FN2O2 — CID 107693152

IUPAC2-[4-(2-aminopropyl)-2-fluorophenoxy]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1ccc(CC(C)N)cc1F
InChIInChI=1S/C14H21FN2O2/c1-4-17(3)14(18)9-19-13-6-5-11(7-10(2)16)8-12(13)15/h5-6,8,10H,4,7,9,16H2,1-3H3
InChIKeyNZOOILGBTYJDFU-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.57
Rot. Bonds6

About 2-[4-(2-aminopropyl)-2-fluorophenoxy]-N-ethyl-N-methylacetamide

2-[4-(2-aminopropyl)-2-fluorophenoxy]-N-ethyl-N-methylacetamide (PubChem CID 107693152) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[4-(2-aminopropyl)-2-fluorophenoxy]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminopropyl)-2-fluorophenoxy]-N-ethyl-N-methylacetamide
PubChem CID107693152
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-[4-(2-aminopropyl)-2-fluorophenoxy]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1ccc(CC(C)N)cc1F
InChIInChI=1S/C14H21FN2O2/c1-4-17(3)14(18)9-19-13-6-5-11(7-10(2)16)8-12(13)15/h5-6,8,10H,4,7,9,16H2,1-3H3
InChIKeyNZOOILGBTYJDFU-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

2-[4-(2-aminopropyl)-2-fluorophenoxy]acetamide
CID 107693025
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide
CID 54929408
2-[4-(2-aminopropyl)-2-bromophenoxy]-N,N-dimethylacetamide
CID 55148691
2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethyl-N-methylacetamide
CID 107739825
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907017
2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide
CID 107665283
2-[4-(2-aminopropyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63050484
1-(3-fluoro-4-nonoxyphenyl)propan-2-amine
CID 107693028
1-(3-fluoro-4-hexoxyphenyl)propan-2-amine
CID 107693191
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-ethyl-N-methylacetamide
CID 60906427
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-ethyl-N-methylacetamide
CID 55188481
2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 107687402

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropyl)-2-fluorophenoxy]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[4-(2-aminopropyl)-2-fluorophenoxy]-N-ethyl-N-methylacetamide (CID 107693152) is 2-[4-(2-aminopropyl)-2-fluorophenoxy]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[4-(2-aminopropyl)-2-fluorophenoxy]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[4-(2-aminopropyl)-2-fluorophenoxy]-N-ethyl-N-methylacetamide is CCN(C)C(=O)COc1ccc(CC(C)N)cc1F.
What is the InChIKey of 2-[4-(2-aminopropyl)-2-fluorophenoxy]-N-ethyl-N-methylacetamide?
The InChIKey is NZOOILGBTYJDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-4-17(3)14(18)9-19-13-6-5-11(7-10(2)16)8-12(13)15/h5-6,8,10H,4,7,9,16H2,1-3H3.
What are the key properties of 2-[4-(2-aminopropyl)-2-fluorophenoxy]-N-ethyl-N-methylacetamide?
2-[4-(2-aminopropyl)-2-fluorophenoxy]-N-ethyl-N-methylacetamide 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 2-[4-(2-aminopropyl)-2-fluorophenoxy]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 107693152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).