4-(3-aminopropyl)-2-bromo-6-fluoro-3-methoxyphenol

C10H13BrFNO2 — CID 84811292

IUPAC4-(3-aminopropyl)-2-bromo-6-fluoro-3-methoxyphenol
SMILESCOc1c(CCCN)cc(F)c(O)c1Br
InChIInChI=1S/C10H13BrFNO2/c1-15-10-6(3-2-4-13)5-7(12)9(14)8(10)11/h5,14H,2-4,13H2,1H3
InChIKeyMTTBZWGOUIBITA-UHFFFAOYSA-N
MW278.12 g/mol
LogP2.19
Rot. Bonds4

About 4-(3-aminopropyl)-2-bromo-6-fluoro-3-methoxyphenol

4-(3-aminopropyl)-2-bromo-6-fluoro-3-methoxyphenol (PubChem CID 84811292) has the molecular formula C10H13BrFNO2 and a molecular weight of 278.12 g/mol. Its IUPAC name is 4-(3-aminopropyl)-2-bromo-6-fluoro-3-methoxyphenol.

Molecular Properties

Compound Name4-(3-aminopropyl)-2-bromo-6-fluoro-3-methoxyphenol
PubChem CID84811292
Molecular FormulaC10H13BrFNO2
Molecular Weight278.12 g/mol
Exact Mass277.01
IUPAC Name4-(3-aminopropyl)-2-bromo-6-fluoro-3-methoxyphenol
SMILESCOc1c(CCCN)cc(F)c(O)c1Br
InChIInChI=1S/C10H13BrFNO2/c1-15-10-6(3-2-4-13)5-7(12)9(14)8(10)11/h5,14H,2-4,13H2,1H3
InChIKeyMTTBZWGOUIBITA-UHFFFAOYSA-N
XLogP2.19
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminopropyl)-2-fluoro-6-methoxy-5-methylphenol
CID 117304214
2-(3-aminopropyl)-4-bromo-6-fluorophenol
CID 83900251
2-(3-aminopropyl)-4-fluoro-6-methoxyphenol
CID 117288585
2-(3-bromo-5-fluoro-2-hydroxy-4-methoxyphenyl)acetic acid
CID 84811493
3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83887887
5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol
CID 117409500
2-(3-aminopropyl)-4-bromo-5-methoxyphenol
CID 117403912
4-(2-aminoethyl)-3-bromo-5-fluoro-2-methoxyphenol
CID 117414326
3-[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]propan-1-amine
CID 117496679
4-(3-aminopropyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84787142
4-(3-fluoro-2-methoxy-5-methylphenyl)butan-1-amine
CID 117301941
2-(3-aminopropyl)-3-bromo-4,5-dimethoxyphenol
CID 117468532

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-2-bromo-6-fluoro-3-methoxyphenol?
The IUPAC name of 4-(3-aminopropyl)-2-bromo-6-fluoro-3-methoxyphenol (CID 84811292) is 4-(3-aminopropyl)-2-bromo-6-fluoro-3-methoxyphenol.
What is the SMILES notation for 4-(3-aminopropyl)-2-bromo-6-fluoro-3-methoxyphenol?
The canonical SMILES for 4-(3-aminopropyl)-2-bromo-6-fluoro-3-methoxyphenol is COc1c(CCCN)cc(F)c(O)c1Br.
What is the InChIKey of 4-(3-aminopropyl)-2-bromo-6-fluoro-3-methoxyphenol?
The InChIKey is MTTBZWGOUIBITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2/c1-15-10-6(3-2-4-13)5-7(12)9(14)8(10)11/h5,14H,2-4,13H2,1H3.
What are the key properties of 4-(3-aminopropyl)-2-bromo-6-fluoro-3-methoxyphenol?
4-(3-aminopropyl)-2-bromo-6-fluoro-3-methoxyphenol has a molecular weight of 278.12 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-2-bromo-6-fluoro-3-methoxyphenol is sourced from PubChem (CID 84811292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).