1-(6-bromo-2,3-difluorophenyl)-N-methylethanamine

C9H10BrF2N — CID 165477245

IUPAC1-(6-bromo-2,3-difluorophenyl)-N-methylethanamine
SMILESCNC(C)c1c(Br)ccc(F)c1F
InChIInChI=1S/C9H10BrF2N/c1-5(13-2)8-6(10)3-4-7(11)9(8)12/h3-5,13H,1-2H3
InChIKeyPNGSTOJFBVTFTN-UHFFFAOYSA-N
MW250.09 g/mol
LogP3.01
Rot. Bonds2

About 1-(6-bromo-2,3-difluorophenyl)-N-methylethanamine

1-(6-bromo-2,3-difluorophenyl)-N-methylethanamine (PubChem CID 165477245) has the molecular formula C9H10BrF2N and a molecular weight of 250.09 g/mol. Its IUPAC name is 1-(6-bromo-2,3-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(6-bromo-2,3-difluorophenyl)-N-methylethanamine
PubChem CID165477245
Molecular FormulaC9H10BrF2N
Molecular Weight250.09 g/mol
Exact Mass249.00
IUPAC Name1-(6-bromo-2,3-difluorophenyl)-N-methylethanamine
SMILESCNC(C)c1c(Br)ccc(F)c1F
InChIInChI=1S/C9H10BrF2N/c1-5(13-2)8-6(10)3-4-7(11)9(8)12/h3-5,13H,1-2H3
InChIKeyPNGSTOJFBVTFTN-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(2,3,4,5,6-pentafluorophenyl)ethanamine
CID 112704561
1-[1-[(3-bromo-2,6-difluorophenyl)methyl]pyrazol-4-yl]-N-methylethanamine
CID 106272036
N-methyl-1-(2,3,4,6-tetrafluorophenyl)ethanamine
CID 139965885
(1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine
CID 131168067
(1S)-1-(2-bromo-4,5-difluorophenyl)-N-methylethanamine
CID 131091332
1-(4-bromo-3,5-difluorophenyl)-N-methylethanamine
CID 129130089
1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine
CID 43286543
1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107978022
1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-methylsulfanylethanamine
CID 106942409
1-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 106942832
(2R)-2-[1-(6-bromo-2,3-difluorophenyl)ethoxymethyl]oxirane
CID 58572556
1-[2-(4-bromo-3-methylphenoxy)-6-fluorophenyl]-N-methylethanamine
CID 83140639

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2,3-difluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(6-bromo-2,3-difluorophenyl)-N-methylethanamine (CID 165477245) is 1-(6-bromo-2,3-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(6-bromo-2,3-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(6-bromo-2,3-difluorophenyl)-N-methylethanamine is CNC(C)c1c(Br)ccc(F)c1F.
What is the InChIKey of 1-(6-bromo-2,3-difluorophenyl)-N-methylethanamine?
The InChIKey is PNGSTOJFBVTFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2N/c1-5(13-2)8-6(10)3-4-7(11)9(8)12/h3-5,13H,1-2H3.
What are the key properties of 1-(6-bromo-2,3-difluorophenyl)-N-methylethanamine?
1-(6-bromo-2,3-difluorophenyl)-N-methylethanamine has a molecular weight of 250.09 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2,3-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 165477245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).