[2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine

C15H15BrFNO — CID 112607529

IUPAC[2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine
SMILESCc1cccc(CN)c1OCc1ccc(Br)cc1F
InChIInChI=1S/C15H15BrFNO/c1-10-3-2-4-11(8-18)15(10)19-9-12-5-6-13(16)7-14(12)17/h2-7H,8-9,18H2,1H3
InChIKeyUWLKNIAELQKPOO-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.93
Rot. Bonds4

About [2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine

[2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine (PubChem CID 112607529) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is [2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine
PubChem CID112607529
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name[2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine
SMILESCc1cccc(CN)c1OCc1ccc(Br)cc1F
InChIInChI=1S/C15H15BrFNO/c1-10-3-2-4-11(8-18)15(10)19-9-12-5-6-13(16)7-14(12)17/h2-7H,8-9,18H2,1H3
InChIKeyUWLKNIAELQKPOO-UHFFFAOYSA-N
XLogP3.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]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-[(2,4-difluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607460
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine
CID 112607867
4-[[2-(aminomethyl)-6-methylphenoxy]methyl]-3-fluorobenzonitrile
CID 115951804
2-[(4-bromo-2-fluorophenyl)methoxy]-1,3,4-trimethylbenzene
CID 60627093
2-[5-bromo-2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 115962640
2-[(5-bromo-2-fluorophenyl)methoxy]-1,3-dimethylbenzene
CID 83057703
[3,5-dibromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methanamine
CID 107741538
1-(bromomethyl)-2-[(4-chloro-2-fluorophenyl)methoxy]-3-methylbenzene
CID 114850389
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]methanol
CID 112613188
[2-[(5-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine
CID 112607692
[2-[(5-bromo-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanamine
CID 60879448
2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 112614778

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine?
The IUPAC name of [2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine (CID 112607529) is [2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine.
What is the SMILES notation for [2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine?
The canonical SMILES for [2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine is Cc1cccc(CN)c1OCc1ccc(Br)cc1F.
What is the InChIKey of [2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine?
The InChIKey is UWLKNIAELQKPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10-3-2-4-11(8-18)15(10)19-9-12-5-6-13(16)7-14(12)17/h2-7H,8-9,18H2,1H3.
What are the key properties of [2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine?
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine has a molecular weight of 324.19 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine is sourced from PubChem (CID 112607529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).