4-(2-aminopropyl)-2-bromo-6-ethoxyphenol

C11H16BrNO2 — CID 79020961

IUPAC4-(2-aminopropyl)-2-bromo-6-ethoxyphenol
SMILESCCOc1cc(CC(C)N)cc(Br)c1O
InChIInChI=1S/C11H16BrNO2/c1-3-15-10-6-8(4-7(2)13)5-9(12)11(10)14/h5-7,14H,3-4,13H2,1-2H3
InChIKeyMWGXYMFQRNUBCI-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.44
Rot. Bonds4

About 4-(2-aminopropyl)-2-bromo-6-ethoxyphenol

4-(2-aminopropyl)-2-bromo-6-ethoxyphenol (PubChem CID 79020961) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 4-(2-aminopropyl)-2-bromo-6-ethoxyphenol.

Molecular Properties

Compound Name4-(2-aminopropyl)-2-bromo-6-ethoxyphenol
PubChem CID79020961
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name4-(2-aminopropyl)-2-bromo-6-ethoxyphenol
SMILESCCOc1cc(CC(C)N)cc(Br)c1O
InChIInChI=1S/C11H16BrNO2/c1-3-15-10-6-8(4-7(2)13)5-9(12)11(10)14/h5-7,14H,3-4,13H2,1-2H3
InChIKeyMWGXYMFQRNUBCI-UHFFFAOYSA-N
XLogP2.44
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-aminobutyl)-2-bromo-6-ethoxyphenol
CID 83954219
1-(3-bromo-5-ethoxy-4-pentoxyphenyl)propan-2-amine
CID 60906355
4-(2-aminopropyl)-2-ethoxy-6-nitrophenol
CID 170864581
2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]-N,N-dimethylacetamide
CID 60906449
methyl 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]acetate
CID 60906356
2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]butanamide
CID 62899307
1-[3-bromo-5-ethoxy-4-(2-methylpentoxy)phenyl]propan-2-amine
CID 63421470
(2R)-1-(3,5-diethoxyphenyl)propan-2-amine
CID 139743645
4-[(1R)-1-amino-2-hydroxyethyl]-2-bromo-6-ethoxyphenol
CID 66516017
2-bromo-6-ethoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82977073
ethyl 2-amino-3-(3-bromo-4-hydroxy-5-methoxyphenyl)propanoate
CID 55152164
4-[(1S)-1-amino-3-fluoropropyl]-2-bromo-6-ethoxyphenol
CID 171227057

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-2-bromo-6-ethoxyphenol?
The IUPAC name of 4-(2-aminopropyl)-2-bromo-6-ethoxyphenol (CID 79020961) is 4-(2-aminopropyl)-2-bromo-6-ethoxyphenol.
What is the SMILES notation for 4-(2-aminopropyl)-2-bromo-6-ethoxyphenol?
The canonical SMILES for 4-(2-aminopropyl)-2-bromo-6-ethoxyphenol is CCOc1cc(CC(C)N)cc(Br)c1O.
What is the InChIKey of 4-(2-aminopropyl)-2-bromo-6-ethoxyphenol?
The InChIKey is MWGXYMFQRNUBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-3-15-10-6-8(4-7(2)13)5-9(12)11(10)14/h5-7,14H,3-4,13H2,1-2H3.
What are the key properties of 4-(2-aminopropyl)-2-bromo-6-ethoxyphenol?
4-(2-aminopropyl)-2-bromo-6-ethoxyphenol has a molecular weight of 274.16 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-2-bromo-6-ethoxyphenol is sourced from PubChem (CID 79020961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).