2-[2-(aminomethyl)-5-chlorophenoxy]-N-(2-methylpropyl)acetamide

C13H19ClN2O2 — CID 113277203

IUPAC2-[2-(aminomethyl)-5-chlorophenoxy]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1cc(Cl)ccc1CN
InChIInChI=1S/C13H19ClN2O2/c1-9(2)7-16-13(17)8-18-12-5-11(14)4-3-10(12)6-15/h3-5,9H,6-8,15H2,1-2H3,(H,16,17)
InChIKeyZVMAFLCCBNREET-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.95
Rot. Bonds6

About 2-[2-(aminomethyl)-5-chlorophenoxy]-N-(2-methylpropyl)acetamide

2-[2-(aminomethyl)-5-chlorophenoxy]-N-(2-methylpropyl)acetamide (PubChem CID 113277203) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-chlorophenoxy]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-chlorophenoxy]-N-(2-methylpropyl)acetamide
PubChem CID113277203
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-[2-(aminomethyl)-5-chlorophenoxy]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1cc(Cl)ccc1CN
InChIInChI=1S/C13H19ClN2O2/c1-9(2)7-16-13(17)8-18-12-5-11(14)4-3-10(12)6-15/h3-5,9H,6-8,15H2,1-2H3,(H,16,17)
InChIKeyZVMAFLCCBNREET-UHFFFAOYSA-N
XLogP1.95
TPSA64.35 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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid
CID 43216932
2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 62074574
2-[2-(aminomethyl)-5-chlorophenoxy]-N-phenylacetamide
CID 114322295
[2-(2-methylpropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2433513
2-(2,5-dichlorophenoxy)-N-(2-hydroxypropyl)acetamide
CID 43394146
2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-(2-methylpropyl)acetamide
CID 60905923
2-(2,5-dichlorophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771579
2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 60623551
2-(2-amino-4-chlorophenoxy)-N-(3-methylbutyl)acetamide
CID 54957202
2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-ynylacetamide
CID 60879263
2-[4-(aminomethyl)-2-bromophenoxy]-N-(2-methylpropyl)acetamide
CID 55147518
2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102915108

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-chlorophenoxy]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-5-chlorophenoxy]-N-(2-methylpropyl)acetamide (CID 113277203) is 2-[2-(aminomethyl)-5-chlorophenoxy]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-5-chlorophenoxy]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-5-chlorophenoxy]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)COc1cc(Cl)ccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-5-chlorophenoxy]-N-(2-methylpropyl)acetamide?
The InChIKey is ZVMAFLCCBNREET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9(2)7-16-13(17)8-18-12-5-11(14)4-3-10(12)6-15/h3-5,9H,6-8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(aminomethyl)-5-chlorophenoxy]-N-(2-methylpropyl)acetamide?
2-[2-(aminomethyl)-5-chlorophenoxy]-N-(2-methylpropyl)acetamide has a molecular weight of 270.76 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-chlorophenoxy]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 113277203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).