2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-propylpropanamide

C16H25BrN2O2 — CID 62392946

IUPAC2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(Br)cc1C(C)NCC
InChIInChI=1S/C16H25BrN2O2/c1-5-9-19-16(20)12(4)21-15-8-7-13(17)10-14(15)11(3)18-6-2/h7-8,10-12,18H,5-6,9H2,1-4H3,(H,19,20)
InChIKeyPKRFKLJFDHLJNP-UHFFFAOYSA-N
MW357.29 g/mol
LogP3.41
Rot. Bonds8

About 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-propylpropanamide

2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-propylpropanamide (PubChem CID 62392946) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-propylpropanamide.

Molecular Properties

Compound Name2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-propylpropanamide
PubChem CID62392946
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC Name2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(Br)cc1C(C)NCC
InChIInChI=1S/C16H25BrN2O2/c1-5-9-19-16(20)12(4)21-15-8-7-13(17)10-14(15)11(3)18-6-2/h7-8,10-12,18H,5-6,9H2,1-4H3,(H,19,20)
InChIKeyPKRFKLJFDHLJNP-UHFFFAOYSA-N
XLogP3.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-methylpropanamide
CID 62392989
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylpropanamide
CID 55068252
N-ethyl-2-[4-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide
CID 43505214
2-[4-bromo-2-[1-(propylamino)ethyl]phenoxy]-N-ethylacetamide
CID 62393036
1-[5-bromo-2-(4-methylpentan-2-yloxy)phenyl]-N-ethylethanamine
CID 82976432
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-prop-2-ynylpropanamide
CID 62074412
2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 62393116
2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide
CID 43505240
2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-N-propylacetamide
CID 63365818
2-[2-[1-(ethylamino)propyl]phenoxy]-N-propylpropanamide
CID 43279107
2-[5-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentylpropanamide
CID 102948921
N-[1-[5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]propan-1-amine
CID 82976250

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-propylpropanamide?
The IUPAC name of 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-propylpropanamide (CID 62392946) is 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-propylpropanamide.
What is the SMILES notation for 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-propylpropanamide?
The canonical SMILES for 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-propylpropanamide is CCCNC(=O)C(C)Oc1ccc(Br)cc1C(C)NCC.
What is the InChIKey of 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-propylpropanamide?
The InChIKey is PKRFKLJFDHLJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-5-9-19-16(20)12(4)21-15-8-7-13(17)10-14(15)11(3)18-6-2/h7-8,10-12,18H,5-6,9H2,1-4H3,(H,19,20).
What are the key properties of 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-propylpropanamide?
2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-propylpropanamide has a molecular weight of 357.29 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-propylpropanamide is sourced from PubChem (CID 62392946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).