[2-[(4-bromophenoxy)methyl]-5-fluorophenyl]methanamine

C14H13BrFNO — CID 63289311

IUPAC[2-[(4-bromophenoxy)methyl]-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1COc1ccc(Br)cc1
InChIInChI=1S/C14H13BrFNO/c15-12-2-5-14(6-3-12)18-9-10-1-4-13(16)7-11(10)8-17/h1-7H,8-9,17H2
InChIKeyGHUVRFNJMVTSAH-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.63
Rot. Bonds4

About [2-[(4-bromophenoxy)methyl]-5-fluorophenyl]methanamine

[2-[(4-bromophenoxy)methyl]-5-fluorophenyl]methanamine (PubChem CID 63289311) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is [2-[(4-bromophenoxy)methyl]-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(4-bromophenoxy)methyl]-5-fluorophenyl]methanamine
PubChem CID63289311
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name[2-[(4-bromophenoxy)methyl]-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1COc1ccc(Br)cc1
InChIInChI=1S/C14H13BrFNO/c15-12-2-5-14(6-3-12)18-9-10-1-4-13(16)7-11(10)8-17/h1-7H,8-9,17H2
InChIKeyGHUVRFNJMVTSAH-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-[(4-bromophenoxy)methyl]-5-fluorophenyl]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

1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene
CID 63531797
[2-[(4-butan-2-ylphenoxy)methyl]-5-fluorophenyl]methanamine
CID 107664056
4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 55027056
2-[(4-bromophenoxy)methyl]-5-fluorobenzenecarboximidamide
CID 63290597
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
[5-fluoro-2-(methoxymethyl)phenyl]methanamine
CID 63289386
[3-[[2-(aminomethyl)-4-fluorophenyl]methoxy]phenyl]methanol
CID 63289394
[4-fluoro-2-[(4-methylsulfonylphenoxy)methyl]phenyl]methanamine
CID 64763561
[2-[(4-bromo-2-chlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694697
[2-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-fluorophenyl]methanamine
CID 107656480
[2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine
CID 104706865
1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 97046774

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromophenoxy)methyl]-5-fluorophenyl]methanamine?
The IUPAC name of [2-[(4-bromophenoxy)methyl]-5-fluorophenyl]methanamine (CID 63289311) is [2-[(4-bromophenoxy)methyl]-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(4-bromophenoxy)methyl]-5-fluorophenyl]methanamine?
The canonical SMILES for [2-[(4-bromophenoxy)methyl]-5-fluorophenyl]methanamine is NCc1cc(F)ccc1COc1ccc(Br)cc1.
What is the InChIKey of [2-[(4-bromophenoxy)methyl]-5-fluorophenyl]methanamine?
The InChIKey is GHUVRFNJMVTSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c15-12-2-5-14(6-3-12)18-9-10-1-4-13(16)7-11(10)8-17/h1-7H,8-9,17H2.
What are the key properties of [2-[(4-bromophenoxy)methyl]-5-fluorophenyl]methanamine?
[2-[(4-bromophenoxy)methyl]-5-fluorophenyl]methanamine has a molecular weight of 310.17 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromophenoxy)methyl]-5-fluorophenyl]methanamine is sourced from PubChem (CID 63289311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).