2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide

C14H19FN2O2 — CID 107696376

IUPAC2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccc(F)cc1CNC1CC1
InChIInChI=1S/C14H19FN2O2/c1-17(2)14(18)9-19-13-6-3-11(15)7-10(13)8-16-12-4-5-12/h3,6-7,12,16H,4-5,8-9H2,1-2H3
InChIKeyITEGKGBSOWRLQU-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.54
Rot. Bonds6

About 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide

2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide (PubChem CID 107696376) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide
PubChem CID107696376
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccc(F)cc1CNC1CC1
InChIInChI=1S/C14H19FN2O2/c1-17(2)14(18)9-19-13-6-3-11(15)7-10(13)8-16-12-4-5-12/h3,6-7,12,16H,4-5,8-9H2,1-2H3
InChIKeyITEGKGBSOWRLQU-UHFFFAOYSA-N
XLogP1.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide
CID 107696299
2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]-N,N-diethylacetamide
CID 63326550
N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 107696508
ethyl 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanoate
CID 107696451
tert-butyl N-[2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]ethyl]carbamate
CID 170985629
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314359
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide
CID 112609936
N-[[5-fluoro-2-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 107696269
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-methylacetamide
CID 107699900
2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid
CID 102535926
N-[[2-[(5-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 107696450
5-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]pentanenitrile
CID 107696379

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide (CID 107696376) is 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide is CN(C)C(=O)COc1ccc(F)cc1CNC1CC1.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide?
The InChIKey is ITEGKGBSOWRLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-17(2)14(18)9-19-13-6-3-11(15)7-10(13)8-16-12-4-5-12/h3,6-7,12,16H,4-5,8-9H2,1-2H3.
What are the key properties of 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide?
2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide has a molecular weight of 266.32 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 107696376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).