5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol

C10H13BrFNO — CID 117409500

IUPAC5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol
SMILESCc1cc(CCCN)c(F)c(O)c1Br
InChIInChI=1S/C10H13BrFNO/c1-6-5-7(3-2-4-13)9(12)10(14)8(6)11/h5,14H,2-4,13H2,1H3
InChIKeyJRTFIPJZKRRBHY-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.49
Rot. Bonds3

About 5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol

5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol (PubChem CID 117409500) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol.

Molecular Properties

Compound Name5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol
PubChem CID117409500
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol
SMILESCc1cc(CCCN)c(F)c(O)c1Br
InChIInChI=1S/C10H13BrFNO/c1-6-5-7(3-2-4-13)9(12)10(14)8(6)11/h5,14H,2-4,13H2,1H3
InChIKeyJRTFIPJZKRRBHY-UHFFFAOYSA-N
XLogP2.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-aminopropyl)-3-fluoro-6-methylbenzene-1,2-diol
CID 117288575
3-(3-aminopropyl)-2-fluoro-6-methoxy-5-methylphenol
CID 117304214
4-(3-aminopropyl)-2-bromo-6-methylbenzene-1,3-diol
CID 84806422
4-(3-aminopropyl)-6-bromo-2,3-difluorophenol
CID 117419034
2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol
CID 84806983
2-(3-aminopropyl)-4-bromo-6-fluorophenol
CID 83900251
4-(3-aminopropyl)-2-bromo-6-fluoro-3-methoxyphenol
CID 84811292
5-(aminomethyl)-2-bromo-3,6-dimethylphenol
CID 84793496
3-(4-bromo-2,5-dimethylphenyl)propan-1-amine
CID 84801554
2-(3-aminopropyl)-6-bromo-3,4-difluorophenol
CID 83902395
3-(5-chloro-2-fluoro-3-methylphenyl)propan-1-amine
CID 84776580
6-(3-aminopropyl)-4-bromo-2,3-dimethylphenol
CID 83901624

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol?
The IUPAC name of 5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol (CID 117409500) is 5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol.
What is the SMILES notation for 5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol?
The canonical SMILES for 5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol is Cc1cc(CCCN)c(F)c(O)c1Br.
What is the InChIKey of 5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol?
The InChIKey is JRTFIPJZKRRBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-6-5-7(3-2-4-13)9(12)10(14)8(6)11/h5,14H,2-4,13H2,1H3.
What are the key properties of 5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol?
5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol has a molecular weight of 262.12 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol is sourced from PubChem (CID 117409500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).