2-[(3-bromo-2,6-difluorophenyl)methoxy]-N-methylethanamine

C10H12BrF2NO — CID 106264551

IUPAC2-[(3-bromo-2,6-difluorophenyl)methoxy]-N-methylethanamine
SMILESCNCCOCc1c(F)ccc(Br)c1F
InChIInChI=1S/C10H12BrF2NO/c1-14-4-5-15-6-7-9(12)3-2-8(11)10(7)13/h2-3,14H,4-6H2,1H3
InChIKeyLEPBPRMAOIUTLT-UHFFFAOYSA-N
MW280.11 g/mol
LogP2.46
Rot. Bonds5

About 2-[(3-bromo-2,6-difluorophenyl)methoxy]-N-methylethanamine

2-[(3-bromo-2,6-difluorophenyl)methoxy]-N-methylethanamine (PubChem CID 106264551) has the molecular formula C10H12BrF2NO and a molecular weight of 280.11 g/mol. Its IUPAC name is 2-[(3-bromo-2,6-difluorophenyl)methoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[(3-bromo-2,6-difluorophenyl)methoxy]-N-methylethanamine
PubChem CID106264551
Molecular FormulaC10H12BrF2NO
Molecular Weight280.11 g/mol
Exact Mass279.01
IUPAC Name2-[(3-bromo-2,6-difluorophenyl)methoxy]-N-methylethanamine
SMILESCNCCOCc1c(F)ccc(Br)c1F
InChIInChI=1S/C10H12BrF2NO/c1-14-4-5-15-6-7-9(12)3-2-8(11)10(7)13/h2-3,14H,4-6H2,1H3
InChIKeyLEPBPRMAOIUTLT-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromo-2,6-difluorophenyl)-N-methylpropan-1-amine
CID 106943498
O-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine
CID 106264573
1-[3-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 106262951
2-[(2,5-difluorophenyl)methoxy]-N-methylethanamine
CID 62335881
(1S)-1-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]propan-1-amine
CID 106262986
1-bromo-2,4-difluoro-3-[(4-propylphenoxy)methyl]benzene
CID 106269980
1-bromo-2,4-difluoro-3-(1-methoxypropan-2-yloxymethyl)benzene
CID 106269997
2-(3-bromo-2,6-difluorophenyl)-N-(2-methoxyethyl)ethanamine
CID 106943435
1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine
CID 106273617
2-[1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 106264865
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 106267048
2-[(3-bromo-2,6-difluorophenyl)methoxymethyl]thiophene
CID 106269960

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2,6-difluorophenyl)methoxy]-N-methylethanamine?
The IUPAC name of 2-[(3-bromo-2,6-difluorophenyl)methoxy]-N-methylethanamine (CID 106264551) is 2-[(3-bromo-2,6-difluorophenyl)methoxy]-N-methylethanamine.
What is the SMILES notation for 2-[(3-bromo-2,6-difluorophenyl)methoxy]-N-methylethanamine?
The canonical SMILES for 2-[(3-bromo-2,6-difluorophenyl)methoxy]-N-methylethanamine is CNCCOCc1c(F)ccc(Br)c1F.
What is the InChIKey of 2-[(3-bromo-2,6-difluorophenyl)methoxy]-N-methylethanamine?
The InChIKey is LEPBPRMAOIUTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO/c1-14-4-5-15-6-7-9(12)3-2-8(11)10(7)13/h2-3,14H,4-6H2,1H3.
What are the key properties of 2-[(3-bromo-2,6-difluorophenyl)methoxy]-N-methylethanamine?
2-[(3-bromo-2,6-difluorophenyl)methoxy]-N-methylethanamine has a molecular weight of 280.11 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2,6-difluorophenyl)methoxy]-N-methylethanamine is sourced from PubChem (CID 106264551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).