2-(3-aminopropyl)-6-bromo-3-(methoxymethyl)phenol

C11H16BrNO2 — CID 83904177

IUPAC2-(3-aminopropyl)-6-bromo-3-(methoxymethyl)phenol
SMILESCOCc1ccc(Br)c(O)c1CCCN
InChIInChI=1S/C11H16BrNO2/c1-15-7-8-4-5-10(12)11(14)9(8)3-2-6-13/h4-5,14H,2-3,6-7,13H2,1H3
InChIKeyZURCUKXOOVATHH-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.19
Rot. Bonds5

About 2-(3-aminopropyl)-6-bromo-3-(methoxymethyl)phenol

2-(3-aminopropyl)-6-bromo-3-(methoxymethyl)phenol (PubChem CID 83904177) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-(3-aminopropyl)-6-bromo-3-(methoxymethyl)phenol.

Molecular Properties

Compound Name2-(3-aminopropyl)-6-bromo-3-(methoxymethyl)phenol
PubChem CID83904177
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name2-(3-aminopropyl)-6-bromo-3-(methoxymethyl)phenol
SMILESCOCc1ccc(Br)c(O)c1CCCN
InChIInChI=1S/C11H16BrNO2/c1-15-7-8-4-5-10(12)11(14)9(8)3-2-6-13/h4-5,14H,2-3,6-7,13H2,1H3
InChIKeyZURCUKXOOVATHH-UHFFFAOYSA-N
XLogP2.19
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopropyl)-6-bromo-3-fluorophenol
CID 83900259
3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-amine
CID 83901605
3-[4-chloro-2-(methoxymethyl)phenyl]propan-1-amine
CID 117304754
3-(aminomethyl)-6-bromo-2-methoxyphenol
CID 117335662
3-[4-fluoro-2-(methoxymethyl)phenyl]propan-1-amine
CID 117287231
3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine
CID 83902095
2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol
CID 84806983
4-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]butan-1-amine
CID 117355397
6-(3-aminopropyl)-4-bromo-2,3-dimethylphenol
CID 83901624
3-(2-bromo-4-methoxyphenyl)propan-1-amine
CID 82622371
2-(3-aminopropyl)-6-bromo-3,4-difluorophenol
CID 83902395
3-(3-aminopropyl)-4-bromo-2,6-dimethylphenol
CID 117398513

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-6-bromo-3-(methoxymethyl)phenol?
The IUPAC name of 2-(3-aminopropyl)-6-bromo-3-(methoxymethyl)phenol (CID 83904177) is 2-(3-aminopropyl)-6-bromo-3-(methoxymethyl)phenol.
What is the SMILES notation for 2-(3-aminopropyl)-6-bromo-3-(methoxymethyl)phenol?
The canonical SMILES for 2-(3-aminopropyl)-6-bromo-3-(methoxymethyl)phenol is COCc1ccc(Br)c(O)c1CCCN.
What is the InChIKey of 2-(3-aminopropyl)-6-bromo-3-(methoxymethyl)phenol?
The InChIKey is ZURCUKXOOVATHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-15-7-8-4-5-10(12)11(14)9(8)3-2-6-13/h4-5,14H,2-3,6-7,13H2,1H3.
What are the key properties of 2-(3-aminopropyl)-6-bromo-3-(methoxymethyl)phenol?
2-(3-aminopropyl)-6-bromo-3-(methoxymethyl)phenol has a molecular weight of 274.16 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-6-bromo-3-(methoxymethyl)phenol is sourced from PubChem (CID 83904177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).