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

C13H19BrN2O2 — CID 62369378

IUPAC2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(Br)cc1C(C)N
InChIInChI=1S/C13H19BrN2O2/c1-3-6-16-13(17)8-18-12-5-4-10(14)7-11(12)9(2)15/h4-5,7,9H,3,6,8,15H2,1-2H3,(H,16,17)
InChIKeyQLARIKCDXMFDSY-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.37
Rot. Bonds6

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

2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide (PubChem CID 62369378) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide
PubChem CID62369378
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(Br)cc1C(C)N
InChIInChI=1S/C13H19BrN2O2/c1-3-6-16-13(17)8-18-12-5-4-10(14)7-11(12)9(2)15/h4-5,7,9H,3,6,8,15H2,1-2H3,(H,16,17)
InChIKeyQLARIKCDXMFDSY-UHFFFAOYSA-N
XLogP2.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-N-propylacetamide
CID 63365818
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-prop-2-ynylacetamide
CID 62369865
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylpropanamide
CID 55068252
2-[4-bromo-2-[1-(propylamino)ethyl]phenoxy]-N-ethylacetamide
CID 62393036
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-phenylacetamide
CID 62369379
2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide
CID 102946796
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butylacetamide
CID 55190440
2-(4-bromo-2-cyanophenoxy)-N-propylacetamide
CID 80601766
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide
CID 115401978
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methylbutyl)acetamide
CID 63365838
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide
CID 78936347
2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide
CID 61486605

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide?
The IUPAC name of 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide (CID 62369378) is 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide is CCCNC(=O)COc1ccc(Br)cc1C(C)N.
What is the InChIKey of 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide?
The InChIKey is QLARIKCDXMFDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-3-6-16-13(17)8-18-12-5-4-10(14)7-11(12)9(2)15/h4-5,7,9H,3,6,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide?
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide has a molecular weight of 315.21 g/mol, XLogP of 2.37, 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-propylacetamide is sourced from PubChem (CID 62369378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).