2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)propan-1-ol

C10H12BrF2NO — CID 106272227

IUPAC2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)propan-1-ol
SMILESNCC(CO)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C10H12BrF2NO/c11-8-1-2-9(12)7(10(8)13)3-6(4-14)5-15/h1-2,6,15H,3-5,14H2
InChIKeyVMCPDFODLLIVBF-UHFFFAOYSA-N
MW280.11 g/mol
LogP1.84
Rot. Bonds4

About 2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)propan-1-ol

2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)propan-1-ol (PubChem CID 106272227) has the molecular formula C10H12BrF2NO and a molecular weight of 280.11 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)propan-1-ol
PubChem CID106272227
Molecular FormulaC10H12BrF2NO
Molecular Weight280.11 g/mol
Exact Mass279.01
IUPAC Name2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)propan-1-ol
SMILESNCC(CO)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C10H12BrF2NO/c11-8-1-2-9(12)7(10(8)13)3-6(4-14)5-15/h1-2,6,15H,3-5,14H2
InChIKeyVMCPDFODLLIVBF-UHFFFAOYSA-N
XLogP1.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 51.84
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

3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine
CID 106273471
4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
CID 106273281
3-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)propan-1-amine
CID 106271721
5-amino-2-[(3-bromo-2,6-difluorophenyl)methyl]pentanoic acid
CID 106272427
3-(3-bromo-2,6-difluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 106271749
1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 106274453
2-(3-bromo-2,6-difluorophenyl)-1-(4-bromo-2-fluorophenyl)ethanamine
CID 106268783
2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 106266780
1-bromo-3-[2-(bromomethyl)-3-(4-methylphenyl)propyl]-2,4-difluorobenzene
CID 106273817
1-amino-3-(3-bromo-2,6-difluorophenyl)propan-2-one
CID 106272455
2-[(3-bromo-2,6-difluorophenyl)methylsulfanyl]propan-1-amine
CID 106264259
1-(3-bromo-2,6-difluorophenyl)-5,5,5-trifluoropentan-2-amine
CID 106268059

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)propan-1-ol (CID 106272227) is 2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)propan-1-ol is NCC(CO)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)propan-1-ol?
The InChIKey is VMCPDFODLLIVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO/c11-8-1-2-9(12)7(10(8)13)3-6(4-14)5-15/h1-2,6,15H,3-5,14H2.
What are the key properties of 2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)propan-1-ol?
2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)propan-1-ol has a molecular weight of 280.11 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)propan-1-ol is sourced from PubChem (CID 106272227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).