2-[2-(2-aminopropyl)-4-bromo-6-methylphenoxy]-N,N-diethylacetamide

C16H25BrN2O2 — CID 115962824

IUPAC2-[2-(2-aminopropyl)-4-bromo-6-methylphenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1c(C)cc(Br)cc1CC(C)N
InChIInChI=1S/C16H25BrN2O2/c1-5-19(6-2)15(20)10-21-16-11(3)7-14(17)9-13(16)8-12(4)18/h7,9,12H,5-6,8,10,18H2,1-4H3
InChIKeyRMNHQYCLSSMPGW-UHFFFAOYSA-N
MW357.29 g/mol
LogP2.89
Rot. Bonds7

About 2-[2-(2-aminopropyl)-4-bromo-6-methylphenoxy]-N,N-diethylacetamide

2-[2-(2-aminopropyl)-4-bromo-6-methylphenoxy]-N,N-diethylacetamide (PubChem CID 115962824) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-4-bromo-6-methylphenoxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-4-bromo-6-methylphenoxy]-N,N-diethylacetamide
PubChem CID115962824
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC Name2-[2-(2-aminopropyl)-4-bromo-6-methylphenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1c(C)cc(Br)cc1CC(C)N
InChIInChI=1S/C16H25BrN2O2/c1-5-19(6-2)15(20)10-21-16-11(3)7-14(17)9-13(16)8-12(4)18/h7,9,12H,5-6,8,10,18H2,1-4H3
InChIKeyRMNHQYCLSSMPGW-UHFFFAOYSA-N
XLogP2.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N,N-dimethylacetamide
CID 115962991
1-[5-bromo-2-(2-ethoxyethoxy)-3-methylphenyl]propan-2-amine
CID 112621689
1-(5-bromo-2-heptoxy-3-methylphenyl)propan-2-amine
CID 115962769
propan-2-yl 2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]acetate
CID 115962903
1-[5-bromo-3-methyl-2-(2-propoxyethoxy)phenyl]propan-2-amine
CID 106455680
1-[5-bromo-3-methyl-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine
CID 106728477
1-[5-bromo-3-methyl-2-(4-methylpentoxy)phenyl]propan-2-amine
CID 112621728
1-[5-bromo-3-methyl-2-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine
CID 112621660
1-[5-bromo-2-(2-butoxyethoxy)-3-methylphenyl]propan-2-amine
CID 115962897
1-[5-bromo-3-methyl-2-(4,4,4-trifluorobutoxy)phenyl]propan-2-amine
CID 115962784
1-[5-bromo-3-methyl-2-(1,3-thiazol-2-ylmethoxy)phenyl]propan-2-amine
CID 112621719
ethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate
CID 875019

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-4-bromo-6-methylphenoxy]-N,N-diethylacetamide?
The IUPAC name of 2-[2-(2-aminopropyl)-4-bromo-6-methylphenoxy]-N,N-diethylacetamide (CID 115962824) is 2-[2-(2-aminopropyl)-4-bromo-6-methylphenoxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-(2-aminopropyl)-4-bromo-6-methylphenoxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-(2-aminopropyl)-4-bromo-6-methylphenoxy]-N,N-diethylacetamide is CCN(CC)C(=O)COc1c(C)cc(Br)cc1CC(C)N.
What is the InChIKey of 2-[2-(2-aminopropyl)-4-bromo-6-methylphenoxy]-N,N-diethylacetamide?
The InChIKey is RMNHQYCLSSMPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-5-19(6-2)15(20)10-21-16-11(3)7-14(17)9-13(16)8-12(4)18/h7,9,12H,5-6,8,10,18H2,1-4H3.
What are the key properties of 2-[2-(2-aminopropyl)-4-bromo-6-methylphenoxy]-N,N-diethylacetamide?
2-[2-(2-aminopropyl)-4-bromo-6-methylphenoxy]-N,N-diethylacetamide has a molecular weight of 357.29 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)-4-bromo-6-methylphenoxy]-N,N-diethylacetamide is sourced from PubChem (CID 115962824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).