2-(2-amino-4-bromophenoxy)-N-cyclopropyl-N-ethylacetamide

C13H17BrN2O2 — CID 65431648

IUPAC2-(2-amino-4-bromophenoxy)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)COc1ccc(Br)cc1N)C1CC1
InChIInChI=1S/C13H17BrN2O2/c1-2-16(10-4-5-10)13(17)8-18-12-6-3-9(14)7-11(12)15/h3,6-7,10H,2,4-5,8,15H2,1H3
InChIKeyISRBQHPQRAVIIU-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.42
Rot. Bonds5

About 2-(2-amino-4-bromophenoxy)-N-cyclopropyl-N-ethylacetamide

2-(2-amino-4-bromophenoxy)-N-cyclopropyl-N-ethylacetamide (PubChem CID 65431648) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-(2-amino-4-bromophenoxy)-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-bromophenoxy)-N-cyclopropyl-N-ethylacetamide
PubChem CID65431648
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name2-(2-amino-4-bromophenoxy)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)COc1ccc(Br)cc1N)C1CC1
InChIInChI=1S/C13H17BrN2O2/c1-2-16(10-4-5-10)13(17)8-18-12-6-3-9(14)7-11(12)15/h3,6-7,10H,2,4-5,8,15H2,1H3
InChIKeyISRBQHPQRAVIIU-UHFFFAOYSA-N
XLogP2.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4-methylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 54957478
2-(2-amino-5-methylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 54957324
2-[(2-amino-6-methyl-3-pyridinyl)oxy]-N-cyclopropyl-N-ethylacetamide
CID 62097639
[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 2-(2-aminophenoxy)acetate
CID 61488778
2-(5-bromo-2,3-difluorophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 107098987
2-(4-bromo-2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 16528139
3-amino-N-cyclopropyl-4-ethoxy-N-ethylbenzamide
CID 61095549
2-(2-acetyl-4-bromophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 2608587
2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide
CID 65430153
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488291
2-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 61488078
2-(2-amino-6-bromo-4-chlorophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 61488077

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromophenoxy)-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-(2-amino-4-bromophenoxy)-N-cyclopropyl-N-ethylacetamide (CID 65431648) is 2-(2-amino-4-bromophenoxy)-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-(2-amino-4-bromophenoxy)-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-(2-amino-4-bromophenoxy)-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)COc1ccc(Br)cc1N)C1CC1.
What is the InChIKey of 2-(2-amino-4-bromophenoxy)-N-cyclopropyl-N-ethylacetamide?
The InChIKey is ISRBQHPQRAVIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-2-16(10-4-5-10)13(17)8-18-12-6-3-9(14)7-11(12)15/h3,6-7,10H,2,4-5,8,15H2,1H3.
What are the key properties of 2-(2-amino-4-bromophenoxy)-N-cyclopropyl-N-ethylacetamide?
2-(2-amino-4-bromophenoxy)-N-cyclopropyl-N-ethylacetamide has a molecular weight of 313.19 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromophenoxy)-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 65431648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).