methyl 3-[2-(2-aminopropyl)-6-chlorophenoxy]-2,2-dimethylpropanoate

C15H22ClNO3 — CID 115958284

IUPACmethyl 3-[2-(2-aminopropyl)-6-chlorophenoxy]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)COc1c(Cl)cccc1CC(C)N
InChIInChI=1S/C15H22ClNO3/c1-10(17)8-11-6-5-7-12(16)13(11)20-9-15(2,3)14(18)19-4/h5-7,10H,8-9,17H2,1-4H3
InChIKeyJMKAUWCZOMMOOK-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.81
Rot. Bonds6

About methyl 3-[2-(2-aminopropyl)-6-chlorophenoxy]-2,2-dimethylpropanoate

methyl 3-[2-(2-aminopropyl)-6-chlorophenoxy]-2,2-dimethylpropanoate (PubChem CID 115958284) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is methyl 3-[2-(2-aminopropyl)-6-chlorophenoxy]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-aminopropyl)-6-chlorophenoxy]-2,2-dimethylpropanoate
PubChem CID115958284
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Namemethyl 3-[2-(2-aminopropyl)-6-chlorophenoxy]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)COc1c(Cl)cccc1CC(C)N
InChIInChI=1S/C15H22ClNO3/c1-10(17)8-11-6-5-7-12(16)13(11)20-9-15(2,3)14(18)19-4/h5-7,10H,8-9,17H2,1-4H3
InChIKeyJMKAUWCZOMMOOK-UHFFFAOYSA-N
XLogP2.81
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-(2-aminopropyl)phenoxy]-2,2-dimethylpropanoate
CID 79621575
2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 115958397
methyl 3-[2-(2-aminobutyl)-6-bromophenoxy]-2,2-dimethylpropanoate
CID 79621529
1-[3-chloro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615570
2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 115958326
1-[3-chloro-2-(2-cyclopropylethoxy)phenyl]propan-2-amine
CID 112615652
1-(3-chloro-2-heptoxyphenyl)propan-2-amine
CID 112615606
methyl 3-[2-(2-aminoethyl)-6-bromophenoxy]-2,2-dimethylpropanoate
CID 79619837
methyl 3-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylpropanoate
CID 115952595
4-[[2-(2-aminopropyl)-6-chlorophenoxy]methyl]benzonitrile
CID 115958311
2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide
CID 54929037
1-[3-chloro-2-(2-phenylsulfanylethoxy)phenyl]propan-2-amine
CID 115958347

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-aminopropyl)-6-chlorophenoxy]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[2-(2-aminopropyl)-6-chlorophenoxy]-2,2-dimethylpropanoate (CID 115958284) is methyl 3-[2-(2-aminopropyl)-6-chlorophenoxy]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[2-(2-aminopropyl)-6-chlorophenoxy]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[2-(2-aminopropyl)-6-chlorophenoxy]-2,2-dimethylpropanoate is COC(=O)C(C)(C)COc1c(Cl)cccc1CC(C)N.
What is the InChIKey of methyl 3-[2-(2-aminopropyl)-6-chlorophenoxy]-2,2-dimethylpropanoate?
The InChIKey is JMKAUWCZOMMOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-10(17)8-11-6-5-7-12(16)13(11)20-9-15(2,3)14(18)19-4/h5-7,10H,8-9,17H2,1-4H3.
What are the key properties of methyl 3-[2-(2-aminopropyl)-6-chlorophenoxy]-2,2-dimethylpropanoate?
methyl 3-[2-(2-aminopropyl)-6-chlorophenoxy]-2,2-dimethylpropanoate has a molecular weight of 299.80 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-aminopropyl)-6-chlorophenoxy]-2,2-dimethylpropanoate is sourced from PubChem (CID 115958284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).