2-[2-(aminomethyl)-4-bromophenoxy]-N,N-diethylpropanamide

C14H21BrN2O2 — CID 43125653

IUPAC2-[2-(aminomethyl)-4-bromophenoxy]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1ccc(Br)cc1CN
InChIInChI=1S/C14H21BrN2O2/c1-4-17(5-2)14(18)10(3)19-13-7-6-12(15)8-11(13)9-16/h6-8,10H,4-5,9,16H2,1-3H3
InChIKeyPSURGGZFEFEKKH-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.54
Rot. Bonds6

About 2-[2-(aminomethyl)-4-bromophenoxy]-N,N-diethylpropanamide

2-[2-(aminomethyl)-4-bromophenoxy]-N,N-diethylpropanamide (PubChem CID 43125653) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-bromophenoxy]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-bromophenoxy]-N,N-diethylpropanamide
PubChem CID43125653
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-[2-(aminomethyl)-4-bromophenoxy]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1ccc(Br)cc1CN
InChIInChI=1S/C14H21BrN2O2/c1-4-17(5-2)14(18)10(3)19-13-7-6-12(15)8-11(13)9-16/h6-8,10H,4-5,9,16H2,1-3H3
InChIKeyPSURGGZFEFEKKH-UHFFFAOYSA-N
XLogP2.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-carbamothioylphenoxy)-N,N-diethylpropanamide
CID 83145220
2-[2-(aminomethyl)-4-bromophenoxy]butanoic acid
CID 64669698
[5-bromo-2-(3-methylbutan-2-yloxy)phenyl]methanamine
CID 114889945
2-[5-(aminomethyl)-2-methylphenoxy]-N,N-diethylpropanamide
CID 107655685
2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide
CID 81494846
2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 43277603
[5-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]methanamine
CID 103486275
2-(2-acetyl-4-aminophenoxy)-N,N-diethylpropanamide
CID 116540885
2-[(6-bromo-2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide
CID 12906196
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide
CID 60905451
3-bromo-4-[1-(diethylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride
CID 82914083
(5-bromo-2-but-3-en-2-yloxyphenyl)methanamine
CID 62387607

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-bromophenoxy]-N,N-diethylpropanamide?
The IUPAC name of 2-[2-(aminomethyl)-4-bromophenoxy]-N,N-diethylpropanamide (CID 43125653) is 2-[2-(aminomethyl)-4-bromophenoxy]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-bromophenoxy]-N,N-diethylpropanamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-bromophenoxy]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Oc1ccc(Br)cc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-4-bromophenoxy]-N,N-diethylpropanamide?
The InChIKey is PSURGGZFEFEKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-4-17(5-2)14(18)10(3)19-13-7-6-12(15)8-11(13)9-16/h6-8,10H,4-5,9,16H2,1-3H3.
What are the key properties of 2-[2-(aminomethyl)-4-bromophenoxy]-N,N-diethylpropanamide?
2-[2-(aminomethyl)-4-bromophenoxy]-N,N-diethylpropanamide has a molecular weight of 329.24 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-bromophenoxy]-N,N-diethylpropanamide is sourced from PubChem (CID 43125653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).