2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide

C13H19ClN2O2 — CID 112608605

IUPAC2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
SMILESCNCc1cccc(Cl)c1OCC(=O)NC(C)C
InChIInChI=1S/C13H19ClN2O2/c1-9(2)16-12(17)8-18-13-10(7-15-3)5-4-6-11(13)14/h4-6,9,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyXYLAMNOJWFOCBR-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.96
Rot. Bonds6

About 2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide

2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide (PubChem CID 112608605) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
PubChem CID112608605
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
SMILESCNCc1cccc(Cl)c1OCC(=O)NC(C)C
InChIInChI=1S/C13H19ClN2O2/c1-9(2)16-12(17)8-18-13-10(7-15-3)5-4-6-11(13)14/h4-6,9,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyXYLAMNOJWFOCBR-UHFFFAOYSA-N
XLogP1.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 115954939
ethyl 2-[2-chloro-6-(methylaminomethyl)phenoxy]acetate
CID 112608576
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide
CID 112610545
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 112612569
1-[2-(2-bromoprop-2-enoxy)-3-chlorophenyl]-N-methylmethanamine
CID 112608720
2-[2-chloro-6-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 115954513
2-[2-chloro-6-[(propan-2-ylamino)methyl]phenoxy]-N-(2-cyanoethyl)acetamide
CID 115954541
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
1-[3-chloro-2-(3-methylbutoxy)phenyl]-N-methylmethanamine
CID 112608537
2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 115958397
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-butan-2-ylacetamide
CID 61390284
N-propan-2-yl-2-(2,4,6-trichlorophenoxy)acetamide;hydrate
CID 131860957

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide (CID 112608605) is 2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide is CNCc1cccc(Cl)c1OCC(=O)NC(C)C.
What is the InChIKey of 2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The InChIKey is XYLAMNOJWFOCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9(2)16-12(17)8-18-13-10(7-15-3)5-4-6-11(13)14/h4-6,9,15H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide has a molecular weight of 270.76 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 112608605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).