2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylpropanamide

C14H21BrN2O2 — CID 55068252

IUPAC2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(Br)cc1C(C)N
InChIInChI=1S/C14H21BrN2O2/c1-4-7-17-14(18)10(3)19-13-6-5-11(15)8-12(13)9(2)16/h5-6,8-10H,4,7,16H2,1-3H3,(H,17,18)
InChIKeyRPUCYLLUGRVIRB-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.76
Rot. Bonds6

About 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylpropanamide

2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylpropanamide (PubChem CID 55068252) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylpropanamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylpropanamide
PubChem CID55068252
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(Br)cc1C(C)N
InChIInChI=1S/C14H21BrN2O2/c1-4-7-17-14(18)10(3)19-13-6-5-11(15)8-12(13)9(2)16/h5-6,8-10H,4,7,16H2,1-3H3,(H,17,18)
InChIKeyRPUCYLLUGRVIRB-UHFFFAOYSA-N
XLogP2.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-propylpropanamide
CID 62392946
2-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-carbamoylpropanamide
CID 78937100
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 62369855
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide
CID 62369378
2-[2-(1-aminoethyl)-5-bromophenoxy]-N-(2-methoxyethyl)propanamide
CID 102946475
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-pentylpropanamide
CID 63367218
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]butanamide
CID 78937476
2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide
CID 43505240
2-[5-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentylpropanamide
CID 102948921
(1S)-1-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
CID 78936916
2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-methylpropanamide
CID 62392989
2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-N-propylacetamide
CID 63365818

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylpropanamide?
The IUPAC name of 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylpropanamide (CID 55068252) is 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylpropanamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylpropanamide?
The canonical SMILES for 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylpropanamide is CCCNC(=O)C(C)Oc1ccc(Br)cc1C(C)N.
What is the InChIKey of 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylpropanamide?
The InChIKey is RPUCYLLUGRVIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-4-7-17-14(18)10(3)19-13-6-5-11(15)8-12(13)9(2)16/h5-6,8-10H,4,7,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylpropanamide?
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylpropanamide has a molecular weight of 329.24 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylpropanamide is sourced from PubChem (CID 55068252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).