1-(2-bromophenyl)-N-(fluoromethoxy)methanamine

C8H9BrFNO — CID 172771407

IUPAC1-(2-bromophenyl)-N-(fluoromethoxy)methanamine
SMILESFCONCc1ccccc1Br
InChIInChI=1S/C8H9BrFNO/c9-8-4-2-1-3-7(8)5-11-12-6-10/h1-4,11H,5-6H2
InChIKeyMZRFSHZDXFUHFX-UHFFFAOYSA-N
MW234.07 g/mol
LogP2.40
Rot. Bonds4

About 1-(2-bromophenyl)-N-(fluoromethoxy)methanamine

1-(2-bromophenyl)-N-(fluoromethoxy)methanamine (PubChem CID 172771407) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-(fluoromethoxy)methanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-(fluoromethoxy)methanamine
PubChem CID172771407
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC Name1-(2-bromophenyl)-N-(fluoromethoxy)methanamine
SMILESFCONCc1ccccc1Br
InChIInChI=1S/C8H9BrFNO/c9-8-4-2-1-3-7(8)5-11-12-6-10/h1-4,11H,5-6H2
InChIKeyMZRFSHZDXFUHFX-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Bromobenzylamine
CID 77571
Benzenemethanamine, 3-bromo-
CID 457587
(2-Bromo-5-fluorophenyl)methanamine
CID 2773357
2-Bromobenzylamine
CID 334072
(4-Bromo-2-fluorophenyl)methanamine
CID 3770848
2-Bromophenethylamine
CID 2734091
1-(2-Bromophenyl)methanamine hydrochloride
CID 2724202
4-Bromo-2-fluorobenzylamine hydrochloride
CID 18468197
1-(2-Bromophenyl)ethan-1-amine
CID 3825290
5-Bromo-2-fluorobenzylamine hydrochloride
CID 2724903
1-(3-Bromo-4-fluorophenyl)methanamine hydrochloride
CID 2724901
(3-Bromo-4-fluorophenyl)methanamine
CID 2724902

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-(fluoromethoxy)methanamine?
The IUPAC name of 1-(2-bromophenyl)-N-(fluoromethoxy)methanamine (CID 172771407) is 1-(2-bromophenyl)-N-(fluoromethoxy)methanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-(fluoromethoxy)methanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-(fluoromethoxy)methanamine is FCONCc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-(fluoromethoxy)methanamine?
The InChIKey is MZRFSHZDXFUHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c9-8-4-2-1-3-7(8)5-11-12-6-10/h1-4,11H,5-6H2.
What are the key properties of 1-(2-bromophenyl)-N-(fluoromethoxy)methanamine?
1-(2-bromophenyl)-N-(fluoromethoxy)methanamine has a molecular weight of 234.07 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-(fluoromethoxy)methanamine is sourced from PubChem (CID 172771407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).