2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide

C13H19ClN2O2 — CID 112610532

IUPAC2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
SMILESCC(C)CNCc1cccc(Cl)c1OCC(N)=O
InChIInChI=1S/C13H19ClN2O2/c1-9(2)6-16-7-10-4-3-5-11(14)13(10)18-8-12(15)17/h3-5,9,16H,6-8H2,1-2H3,(H2,15,17)
InChIKeyUGNSJCKNYCQNFY-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.95
Rot. Bonds7

About 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide

2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide (PubChem CID 112610532) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
PubChem CID112610532
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
SMILESCC(C)CNCc1cccc(Cl)c1OCC(N)=O
InChIInChI=1S/C13H19ClN2O2/c1-9(2)6-16-7-10-4-3-5-11(14)13(10)18-8-12(15)17/h3-5,9,16H,6-8H2,1-2H3,(H2,15,17)
InChIKeyUGNSJCKNYCQNFY-UHFFFAOYSA-N
XLogP1.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide
CID 112610545
propan-2-yl 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 115954842
2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 112610813
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 112610531
2-[2-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 63062212
N-[(2-but-3-ynoxy-3-chlorophenyl)methyl]-2-methylpropan-1-amine
CID 112610511
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 115954792
5-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]pentanenitrile
CID 115954801
2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 112608605
N-[[2-(2-butoxyethoxy)-3-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 115954772
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 115954939
N-[[3-chloro-2-(cyclopropylmethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 106929415

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide (CID 112610532) is 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide is CC(C)CNCc1cccc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide?
The InChIKey is UGNSJCKNYCQNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9(2)6-16-7-10-4-3-5-11(14)13(10)18-8-12(15)17/h3-5,9,16H,6-8H2,1-2H3,(H2,15,17).
What are the key properties of 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide?
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide has a molecular weight of 270.76 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 112610532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).