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

C16H17BrFNO2 — CID 114894620

IUPAC(5-bromo-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
SMILESCOCCOc1ccccc1C(N)c1cc(Br)ccc1F
InChIInChI=1S/C16H17BrFNO2/c1-20-8-9-21-15-5-3-2-4-12(15)16(19)13-10-11(17)6-7-14(13)18/h2-7,10,16H,8-9,19H2,1H3
InChIKeyPZUSNTINZBNPEA-UHFFFAOYSA-N
MW354.22 g/mol
LogP3.66
Rot. Bonds6

About (5-bromo-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine

(5-bromo-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine (PubChem CID 114894620) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
PubChem CID114894620
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC Name(5-bromo-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
SMILESCOCCOc1ccccc1C(N)c1cc(Br)ccc1F
InChIInChI=1S/C16H17BrFNO2/c1-20-8-9-21-15-5-3-2-4-12(15)16(19)13-10-11(17)6-7-14(13)18/h2-7,10,16H,8-9,19H2,1H3
InChIKeyPZUSNTINZBNPEA-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'}

Analyze (5-bromo-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-fluoro-5-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035244
(2-bromo-3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035368
(5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105036006
(4-bromo-2,6-difluorophenyl)-(2-propoxyphenyl)methanamine
CID 105036008
(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035320
[2-(2-methoxyethoxy)phenyl]-(4-methoxyphenyl)methanamine
CID 104659745
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
ethyl 2-(5-bromo-2-fluorophenyl)-2-(2-methoxyethylamino)acetate
CID 62542248
(5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985209
(1R)-1-[5-bromo-2-(3-methoxypropoxy)phenyl]ethanamine
CID 63367943
4-bromo-1-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-ylbenzene
CID 113302957
[2-(2-methoxyethoxy)phenyl]-(4-methyl-2-pyridinyl)methanamine
CID 104660123

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine?
The IUPAC name of (5-bromo-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine (CID 114894620) is (5-bromo-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine?
The canonical SMILES for (5-bromo-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine is COCCOc1ccccc1C(N)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine?
The InChIKey is PZUSNTINZBNPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-20-8-9-21-15-5-3-2-4-12(15)16(19)13-10-11(17)6-7-14(13)18/h2-7,10,16H,8-9,19H2,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine?
(5-bromo-2-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 (5-bromo-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine is sourced from PubChem (CID 114894620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).