2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide

C14H19ClN2O2 — CID 112609936

IUPAC2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1c(Cl)cccc1CNC1CC1
InChIInChI=1S/C14H19ClN2O2/c1-17(2)13(18)9-19-14-10(4-3-5-12(14)15)8-16-11-6-7-11/h3-5,11,16H,6-9H2,1-2H3
InChIKeyVZAKSHAHPUWHSI-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.06
Rot. Bonds6

About 2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide

2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide (PubChem CID 112609936) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide
PubChem CID112609936
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1c(Cl)cccc1CNC1CC1
InChIInChI=1S/C14H19ClN2O2/c1-17(2)13(18)9-19-14-10(4-3-5-12(14)15)8-16-11-6-7-11/h3-5,11,16H,6-9H2,1-2H3
InChIKeyVZAKSHAHPUWHSI-UHFFFAOYSA-N
XLogP2.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 115953772
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 115953715
2-(2,6-dichlorophenoxy)-N,N-dimethylacetamide
CID 78765476
N-carbamoyl-2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]acetamide
CID 115953806
N-[[3-chloro-2-(2-methylidenebutoxy)phenyl]methyl]cyclopropanamine
CID 112609951
3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]propane-1,2-diol
CID 112609889
3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]butan-2-ol
CID 112609944
2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide
CID 107696376
N-[[3-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953820
2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide
CID 115952913
2-(3-chloro-2-ethoxyphenyl)-N-[3-(dimethylamino)cyclopentyl]acetamide
CID 91662652
2-[3-chloro-2-[(cyclopropylamino)methyl]-N-methylanilino]-N,N-dimethylacetamide
CID 43375220

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide (CID 112609936) is 2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide is CN(C)C(=O)COc1c(Cl)cccc1CNC1CC1.
What is the InChIKey of 2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide?
The InChIKey is VZAKSHAHPUWHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-17(2)13(18)9-19-14-10(4-3-5-12(14)15)8-16-11-6-7-11/h3-5,11,16H,6-9H2,1-2H3.
What are the key properties of 2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide?
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide has a molecular weight of 282.77 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 112609936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).