2-[4-bromo-2-[1-(propylamino)ethyl]phenoxy]-N-ethylacetamide

C15H23BrN2O2 — CID 62393036

IUPAC2-[4-bromo-2-[1-(propylamino)ethyl]phenoxy]-N-ethylacetamide
SMILESCCCNC(C)c1cc(Br)ccc1OCC(=O)NCC
InChIInChI=1S/C15H23BrN2O2/c1-4-8-18-11(3)13-9-12(16)6-7-14(13)20-10-15(19)17-5-2/h6-7,9,11,18H,4-5,8,10H2,1-3H3,(H,17,19)
InChIKeyRDPZOOOQTSBPPT-UHFFFAOYSA-N
MW343.27 g/mol
LogP3.02
Rot. Bonds8

About 2-[4-bromo-2-[1-(propylamino)ethyl]phenoxy]-N-ethylacetamide

2-[4-bromo-2-[1-(propylamino)ethyl]phenoxy]-N-ethylacetamide (PubChem CID 62393036) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-[4-bromo-2-[1-(propylamino)ethyl]phenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-bromo-2-[1-(propylamino)ethyl]phenoxy]-N-ethylacetamide
PubChem CID62393036
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-[4-bromo-2-[1-(propylamino)ethyl]phenoxy]-N-ethylacetamide
SMILESCCCNC(C)c1cc(Br)ccc1OCC(=O)NCC
InChIInChI=1S/C15H23BrN2O2/c1-4-8-18-11(3)13-9-12(16)6-7-14(13)20-10-15(19)17-5-2/h6-7,9,11,18H,4-5,8,10H2,1-3H3,(H,17,19)
InChIKeyRDPZOOOQTSBPPT-UHFFFAOYSA-N
XLogP3.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 62393116
2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-N-propylacetamide
CID 63365818
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide
CID 62369378
3-[4-bromo-2-[1-(propylamino)ethyl]phenoxy]-2,2-dimethylpropanoic acid
CID 79621031
N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine
CID 55068348
1-[[4-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol
CID 65211126
N-[1-(5-bromo-2-butoxyphenyl)ethyl]propan-1-amine
CID 63500692
3-[[4-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol
CID 114491939
2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-propylpropanamide
CID 62392946
2-(2-amino-4-bromophenoxy)-N-ethylacetamide
CID 65430348
N-propyl-2-[2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 43279683
2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(cyanomethyl)acetamide
CID 102947684

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[1-(propylamino)ethyl]phenoxy]-N-ethylacetamide?
The IUPAC name of 2-[4-bromo-2-[1-(propylamino)ethyl]phenoxy]-N-ethylacetamide (CID 62393036) is 2-[4-bromo-2-[1-(propylamino)ethyl]phenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[4-bromo-2-[1-(propylamino)ethyl]phenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[4-bromo-2-[1-(propylamino)ethyl]phenoxy]-N-ethylacetamide is CCCNC(C)c1cc(Br)ccc1OCC(=O)NCC.
What is the InChIKey of 2-[4-bromo-2-[1-(propylamino)ethyl]phenoxy]-N-ethylacetamide?
The InChIKey is RDPZOOOQTSBPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-4-8-18-11(3)13-9-12(16)6-7-14(13)20-10-15(19)17-5-2/h6-7,9,11,18H,4-5,8,10H2,1-3H3,(H,17,19).
What are the key properties of 2-[4-bromo-2-[1-(propylamino)ethyl]phenoxy]-N-ethylacetamide?
2-[4-bromo-2-[1-(propylamino)ethyl]phenoxy]-N-ethylacetamide has a molecular weight of 343.27 g/mol, XLogP of 3.02, 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-(propylamino)ethyl]phenoxy]-N-ethylacetamide is sourced from PubChem (CID 62393036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).