2-[2-(2-aminoethyl)-6-bromophenoxy]-N-propylpropanamide

C14H21BrN2O2 — CID 61391964

IUPAC2-[2-(2-aminoethyl)-6-bromophenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1c(Br)cccc1CCN
InChIInChI=1S/C14H21BrN2O2/c1-3-9-17-14(18)10(2)19-13-11(7-8-16)5-4-6-12(13)15/h4-6,10H,3,7-9,16H2,1-2H3,(H,17,18)
InChIKeyZDGMXQPHTJQQLB-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.24
Rot. Bonds7

About 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-propylpropanamide

2-[2-(2-aminoethyl)-6-bromophenoxy]-N-propylpropanamide (PubChem CID 61391964) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-propylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-6-bromophenoxy]-N-propylpropanamide
PubChem CID61391964
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-[2-(2-aminoethyl)-6-bromophenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1c(Br)cccc1CCN
InChIInChI=1S/C14H21BrN2O2/c1-3-9-17-14(18)10(2)19-13-11(7-8-16)5-4-6-12(13)15/h4-6,10H,3,7-9,16H2,1-2H3,(H,17,18)
InChIKeyZDGMXQPHTJQQLB-UHFFFAOYSA-N
XLogP2.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide
CID 61391965
2-[2-(2-aminoethyl)-6-bromophenoxy]-N,N-dimethylpropanamide
CID 61391928
2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-butylpropanamide
CID 60904970
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-butylpropanamide
CID 61390210
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112615083
2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-propylpropanamide
CID 107738922
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489103
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide
CID 112612370
2-[2-bromo-6-(hydroxymethyl)phenoxy]-N-pentan-2-ylpropanamide
CID 61391751
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]-N-methylpropanamide
CID 54930374
N-(2-aminoethyl)-2-(2-bromophenoxy)propanamide;hydrochloride
CID 119384173
2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide
CID 112615054

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-propylpropanamide?
The IUPAC name of 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-propylpropanamide (CID 61391964) is 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-propylpropanamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-propylpropanamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-propylpropanamide is CCCNC(=O)C(C)Oc1c(Br)cccc1CCN.
What is the InChIKey of 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-propylpropanamide?
The InChIKey is ZDGMXQPHTJQQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-3-9-17-14(18)10(2)19-13-11(7-8-16)5-4-6-12(13)15/h4-6,10H,3,7-9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-propylpropanamide?
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-propylpropanamide has a molecular weight of 329.24 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-propylpropanamide is sourced from PubChem (CID 61391964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).