1-(4-bromo-2-fluorophenyl)-N-methoxyethenamine

C9H9BrFNO — CID 57308211

IUPAC1-(4-bromo-2-fluorophenyl)-N-methoxyethenamine
SMILESC=C(NOC)c1ccc(Br)cc1F
InChIInChI=1S/C9H9BrFNO/c1-6(12-13-2)8-4-3-7(10)5-9(8)11/h3-5,12H,1H2,2H3
InChIKeyYUPZJYWBRAKGSQ-UHFFFAOYSA-N
MW246.08 g/mol
LogP2.71
Rot. Bonds3

About 1-(4-bromo-2-fluorophenyl)-N-methoxyethenamine

1-(4-bromo-2-fluorophenyl)-N-methoxyethenamine (PubChem CID 57308211) has the molecular formula C9H9BrFNO and a molecular weight of 246.08 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-methoxyethenamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-methoxyethenamine
PubChem CID57308211
Molecular FormulaC9H9BrFNO
Molecular Weight246.08 g/mol
Exact Mass244.99
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-methoxyethenamine
SMILESC=C(NOC)c1ccc(Br)cc1F
InChIInChI=1S/C9H9BrFNO/c1-6(12-13-2)8-4-3-7(10)5-9(8)11/h3-5,12H,1H2,2H3
InChIKeyYUPZJYWBRAKGSQ-UHFFFAOYSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(3-Bromo-4-fluorophenyl)methyl](methoxy)amine
CID 21947562
1-(2,4-difluorophenyl)-N-methoxyethenamine
CID 57050334
1-(3,4-difluorophenyl)-N-methoxyethenamine
CID 57058181
1-(2-fluorophenyl)-N-methoxyethenamine
CID 57082075
1-(2-bromo-4-fluorophenyl)-N-methoxyethenamine
CID 57190116
1-(2,5-difluorophenyl)-N-methoxyethenamine
CID 57227492
1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
CID 57266923
1-(4-fluorophenyl)-N-methoxypent-1-en-1-amine
CID 57284314
N-[(4-bromo-3-fluorophenyl)methyl]hydroxylamine
CID 58343816
1-(2-bromo-4-fluorophenyl)-N-ethoxymethanamine
CID 60711881
1-(4-fluorophenyl)-N-methoxyethenamine
CID 90882872
5-(Azidomethyl)-3-(4-bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 91019015

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-methoxyethenamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-methoxyethenamine (CID 57308211) is 1-(4-bromo-2-fluorophenyl)-N-methoxyethenamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-methoxyethenamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-methoxyethenamine is C=C(NOC)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-methoxyethenamine?
The InChIKey is YUPZJYWBRAKGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO/c1-6(12-13-2)8-4-3-7(10)5-9(8)11/h3-5,12H,1H2,2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-methoxyethenamine?
1-(4-bromo-2-fluorophenyl)-N-methoxyethenamine has a molecular weight of 246.08 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-methoxyethenamine is sourced from PubChem (CID 57308211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).