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

C14H21BrN2O2 — CID 62392989

IUPAC2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-methylpropanamide
SMILESCCNC(C)c1cc(Br)ccc1OC(C)C(=O)NC
InChIInChI=1S/C14H21BrN2O2/c1-5-17-9(2)12-8-11(15)6-7-13(12)19-10(3)14(18)16-4/h6-10,17H,5H2,1-4H3,(H,16,18)
InChIKeyKAOKXBMONSIUIV-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.63
Rot. Bonds6

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

2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-methylpropanamide (PubChem CID 62392989) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-methylpropanamide
PubChem CID62392989
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-methylpropanamide
SMILESCCNC(C)c1cc(Br)ccc1OC(C)C(=O)NC
InChIInChI=1S/C14H21BrN2O2/c1-5-17-9(2)12-8-11(15)6-7-13(12)19-10(3)14(18)16-4/h6-10,17H,5H2,1-4H3,(H,16,18)
InChIKeyKAOKXBMONSIUIV-UHFFFAOYSA-N
XLogP2.63
TPSA50.36 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 ≤ 52.63
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
1-[5-bromo-2-(4-methylpentan-2-yloxy)phenyl]-N-ethylethanamine
CID 82976432
(2S)-2-(4-bromo-2-formylphenoxy)-N-methylpropanamide
CID 28834154
2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methylpropanamide
CID 54929525
3-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-2,2-dimethylpropanoic acid
CID 79628918
2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 62393116
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-prop-2-ynylpropanamide
CID 62074412
1-[5-bromo-2-(4-methylpentoxy)phenyl]-N-ethylethanamine
CID 82976012
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylpropanamide
CID 55068252
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dibromophenoxy)propanamide
CID 1234554
(2R)-2-(2,4-dibromophenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 1019999
2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]-N,N-dimethylpropanamide
CID 43505161

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-methylpropanamide?
The IUPAC name of 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-methylpropanamide (CID 62392989) is 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-methylpropanamide.
What is the SMILES notation for 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-methylpropanamide?
The canonical SMILES for 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-methylpropanamide is CCNC(C)c1cc(Br)ccc1OC(C)C(=O)NC.
What is the InChIKey of 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-methylpropanamide?
The InChIKey is KAOKXBMONSIUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-5-17-9(2)12-8-11(15)6-7-13(12)19-10(3)14(18)16-4/h6-10,17H,5H2,1-4H3,(H,16,18).
What are the key properties of 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-methylpropanamide?
2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-methylpropanamide has a molecular weight of 329.24 g/mol, XLogP of 2.63, 6 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-methylpropanamide is sourced from PubChem (CID 62392989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).