3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpropanamide

C13H19BrN2O2 — CID 119336178

IUPAC3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpropanamide
SMILESCCN(CCOc1ccc(Br)cc1)C(=O)CCN
InChIInChI=1S/C13H19BrN2O2/c1-2-16(13(17)7-8-15)9-10-18-12-5-3-11(14)4-6-12/h3-6H,2,7-10,15H2,1H3
InChIKeyRJTZHGKIXJYBFE-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.03
Rot. Bonds7

About 3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpropanamide

3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpropanamide (PubChem CID 119336178) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpropanamide
PubChem CID119336178
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpropanamide
SMILESCCN(CCOc1ccc(Br)cc1)C(=O)CCN
InChIInChI=1S/C13H19BrN2O2/c1-2-16(13(17)7-8-15)9-10-18-12-5-3-11(14)4-6-12/h3-6H,2,7-10,15H2,1H3
InChIKeyRJTZHGKIXJYBFE-UHFFFAOYSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 120563461
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CID 119805687
4-(aminomethyl)-N-[2-(4-bromophenoxy)ethyl]-N-ethyloxane-4-carboxamide
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N-(2-aminoethyl)-N-ethyl-4-(4-methoxyphenoxy)butanamide
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3-amino-N-ethyl-N-(2-methoxyethyl)propanamide
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4-[[2-(4-bromophenoxy)ethyl-ethylcarbamoyl]amino]butanoic acid
CID 122023110
N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
CID 60629006
4-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-propylbutanamide
CID 60655942
2-[3-(4-bromophenoxy)propanoyl-propylamino]acetic acid
CID 61008318
3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride
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N-(2-aminoethyl)-5-(4-bromophenoxy)-N-propan-2-ylpentanamide
CID 167779460
3-amino-N-(4-bromophenyl)-N-ethylpropanamide
CID 28795394

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpropanamide?
The IUPAC name of 3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpropanamide (CID 119336178) is 3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpropanamide?
The canonical SMILES for 3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpropanamide is CCN(CCOc1ccc(Br)cc1)C(=O)CCN.
What is the InChIKey of 3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpropanamide?
The InChIKey is RJTZHGKIXJYBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-2-16(13(17)7-8-15)9-10-18-12-5-3-11(14)4-6-12/h3-6H,2,7-10,15H2,1H3.
What are the key properties of 3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpropanamide?
3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpropanamide has a molecular weight of 315.21 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpropanamide is sourced from PubChem (CID 119336178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).