2-(3-aminopropyl)-6-bromo-3,4-difluorophenol

C9H10BrF2NO — CID 83902395

IUPAC2-(3-aminopropyl)-6-bromo-3,4-difluorophenol
SMILESNCCCc1c(O)c(Br)cc(F)c1F
InChIInChI=1S/C9H10BrF2NO/c10-6-4-7(11)8(12)5(9(6)14)2-1-3-13/h4,14H,1-3,13H2
InChIKeyPINFNWSLVQOGPM-UHFFFAOYSA-N
MW266.08 g/mol
LogP2.32
Rot. Bonds3

About 2-(3-aminopropyl)-6-bromo-3,4-difluorophenol

2-(3-aminopropyl)-6-bromo-3,4-difluorophenol (PubChem CID 83902395) has the molecular formula C9H10BrF2NO and a molecular weight of 266.08 g/mol. Its IUPAC name is 2-(3-aminopropyl)-6-bromo-3,4-difluorophenol.

Molecular Properties

Compound Name2-(3-aminopropyl)-6-bromo-3,4-difluorophenol
PubChem CID83902395
Molecular FormulaC9H10BrF2NO
Molecular Weight266.08 g/mol
Exact Mass264.99
IUPAC Name2-(3-aminopropyl)-6-bromo-3,4-difluorophenol
SMILESNCCCc1c(O)c(Br)cc(F)c1F
InChIInChI=1S/C9H10BrF2NO/c10-6-4-7(11)8(12)5(9(6)14)2-1-3-13/h4,14H,1-3,13H2
InChIKeyPINFNWSLVQOGPM-UHFFFAOYSA-N
XLogP2.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol
CID 84806983
6-bromo-3,4-difluoro-2-(3-hydroxypropyl)phenol
CID 117420933
4-(3-bromo-2,5,6-trifluorophenyl)butan-1-amine
CID 117115711
2-(2-aminoethyl)-4-bromo-3,6-difluorophenol
CID 117383018
2-(3-aminopropyl)-6-bromo-3-fluorophenol
CID 83900259
3-(4-aminobutyl)-4-bromo-6-fluorobenzene-1,2-diol
CID 117445578
4-(3-aminopropyl)-6-bromo-2,3-difluorophenol
CID 117419034
3-(2-aminoethyl)-5-bromo-4-fluorobenzene-1,2-diol
CID 117378174
2-(4-aminobutyl)-6-chloro-3,4-difluorophenol
CID 117343886
2-(aminomethyl)-6-bromo-4-fluoro-3-methylphenol
CID 84697319
3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
CID 84803102
5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol
CID 117409500

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-6-bromo-3,4-difluorophenol?
The IUPAC name of 2-(3-aminopropyl)-6-bromo-3,4-difluorophenol (CID 83902395) is 2-(3-aminopropyl)-6-bromo-3,4-difluorophenol.
What is the SMILES notation for 2-(3-aminopropyl)-6-bromo-3,4-difluorophenol?
The canonical SMILES for 2-(3-aminopropyl)-6-bromo-3,4-difluorophenol is NCCCc1c(O)c(Br)cc(F)c1F.
What is the InChIKey of 2-(3-aminopropyl)-6-bromo-3,4-difluorophenol?
The InChIKey is PINFNWSLVQOGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NO/c10-6-4-7(11)8(12)5(9(6)14)2-1-3-13/h4,14H,1-3,13H2.
What are the key properties of 2-(3-aminopropyl)-6-bromo-3,4-difluorophenol?
2-(3-aminopropyl)-6-bromo-3,4-difluorophenol has a molecular weight of 266.08 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-6-bromo-3,4-difluorophenol is sourced from PubChem (CID 83902395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).