[2-fluoro-4-(2-fluorophenoxy)-5-methylphenyl]methanamine;hydrochloride

C14H14ClF2NO — CID 157181289

IUPAC[2-fluoro-4-(2-fluorophenoxy)-5-methylphenyl]methanamine;hydrochloride
SMILESCc1cc(CN)c(F)cc1Oc1ccccc1F.Cl
InChIInChI=1S/C14H13F2NO.ClH/c1-9-6-10(8-17)12(16)7-14(9)18-13-5-3-2-4-11(13)15;/h2-7H,8,17H2,1H3;1H
InChIKeyJDFKBMMREOQXAG-UHFFFAOYSA-N
MW285.72 g/mol
LogP3.95
Rot. Bonds3

About [2-fluoro-4-(2-fluorophenoxy)-5-methylphenyl]methanamine;hydrochloride

[2-fluoro-4-(2-fluorophenoxy)-5-methylphenyl]methanamine;hydrochloride (PubChem CID 157181289) has the molecular formula C14H14ClF2NO and a molecular weight of 285.72 g/mol. Its IUPAC name is [2-fluoro-4-(2-fluorophenoxy)-5-methylphenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-fluoro-4-(2-fluorophenoxy)-5-methylphenyl]methanamine;hydrochloride
PubChem CID157181289
Molecular FormulaC14H14ClF2NO
Molecular Weight285.72 g/mol
Exact Mass285.07
IUPAC Name[2-fluoro-4-(2-fluorophenoxy)-5-methylphenyl]methanamine;hydrochloride
SMILESCc1cc(CN)c(F)cc1Oc1ccccc1F.Cl
InChIInChI=1S/C14H13F2NO.ClH/c1-9-6-10(8-17)12(16)7-14(9)18-13-5-3-2-4-11(13)15;/h2-7H,8,17H2,1H3;1H
InChIKeyJDFKBMMREOQXAG-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.72
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-fluoro-4-(2-fluorophenoxy)-5-methylphenyl]methanamine;hydrochloride 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-[3-(2-fluorophenoxy)-4-methylphenyl]ethanamine
CID 105410974
3-(aminomethyl)-4-(2-fluorophenoxy)aniline
CID 174383451
[2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine
CID 79516548
2-[2-(2-fluorophenoxy)phenyl]ethanamine
CID 63817709
4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene
CID 63565705
1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene
CID 22338502
2-(2-fluorophenoxy)-6-methylaniline
CID 20513508
[2-(2,4-dimethylphenoxy)phenyl]methanamine
CID 19627395
[5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine
CID 62298344
[2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine
CID 79516549
(4-bromo-2-fluoro-5-methylphenyl)methanamine;hydrochloride
CID 171906157
[1-(2-fluorophenoxy)isoquinolin-3-yl]methanamine
CID 62298170

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(2-fluorophenoxy)-5-methylphenyl]methanamine;hydrochloride?
The IUPAC name of [2-fluoro-4-(2-fluorophenoxy)-5-methylphenyl]methanamine;hydrochloride (CID 157181289) is [2-fluoro-4-(2-fluorophenoxy)-5-methylphenyl]methanamine;hydrochloride.
What is the SMILES notation for [2-fluoro-4-(2-fluorophenoxy)-5-methylphenyl]methanamine;hydrochloride?
The canonical SMILES for [2-fluoro-4-(2-fluorophenoxy)-5-methylphenyl]methanamine;hydrochloride is Cc1cc(CN)c(F)cc1Oc1ccccc1F.Cl.
What is the InChIKey of [2-fluoro-4-(2-fluorophenoxy)-5-methylphenyl]methanamine;hydrochloride?
The InChIKey is JDFKBMMREOQXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO.ClH/c1-9-6-10(8-17)12(16)7-14(9)18-13-5-3-2-4-11(13)15;/h2-7H,8,17H2,1H3;1H.
What are the key properties of [2-fluoro-4-(2-fluorophenoxy)-5-methylphenyl]methanamine;hydrochloride?
[2-fluoro-4-(2-fluorophenoxy)-5-methylphenyl]methanamine;hydrochloride has a molecular weight of 285.72 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(2-fluorophenoxy)-5-methylphenyl]methanamine;hydrochloride is sourced from PubChem (CID 157181289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).