(2-bromo-3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine

C16H17BrFNO2 — CID 105035368

IUPAC(2-bromo-3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
SMILESCOCCOc1ccccc1C(N)c1cccc(F)c1Br
InChIInChI=1S/C16H17BrFNO2/c1-20-9-10-21-14-8-3-2-5-11(14)16(19)12-6-4-7-13(18)15(12)17/h2-8,16H,9-10,19H2,1H3
InChIKeyGUEFHGQBBDFJBQ-UHFFFAOYSA-N
MW354.22 g/mol
LogP3.66
Rot. Bonds6

About (2-bromo-3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine

(2-bromo-3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine (PubChem CID 105035368) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
PubChem CID105035368
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC Name(2-bromo-3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
SMILESCOCCOc1ccccc1C(N)c1cccc(F)c1Br
InChIInChI=1S/C16H17BrFNO2/c1-20-9-10-21-14-8-3-2-5-11(14)16(19)12-6-4-7-13(18)15(12)17/h2-8,16H,9-10,19H2,1H3
InChIKeyGUEFHGQBBDFJBQ-UHFFFAOYSA-N
XLogP3.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 114894620
(2-fluoro-5-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035244
[2-(2-methoxyethoxy)phenyl]-(4-methoxyphenyl)methanamine
CID 104659745
(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035320
[2-(2-methoxyethoxy)phenyl]-(6-methoxypyridazin-3-yl)methanamine
CID 103374065
3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104658969
1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine
CID 113438261
1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine
CID 105035367
(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938
(3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 103444018
(4-bromo-2,6-difluorophenyl)-(2-propoxyphenyl)methanamine
CID 105036008
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine?
The IUPAC name of (2-bromo-3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine (CID 105035368) is (2-bromo-3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine?
The canonical SMILES for (2-bromo-3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine is COCCOc1ccccc1C(N)c1cccc(F)c1Br.
What is the InChIKey of (2-bromo-3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine?
The InChIKey is GUEFHGQBBDFJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-20-9-10-21-14-8-3-2-5-11(14)16(19)12-6-4-7-13(18)15(12)17/h2-8,16H,9-10,19H2,1H3.
What are the key properties of (2-bromo-3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine?
(2-bromo-3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine has a molecular weight of 354.22 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine is sourced from PubChem (CID 105035368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).