[4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine

C14H12ClF2NO — CID 107686266

IUPAC[4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
SMILESNCc1ccc(OCc2cccc(F)c2Cl)c(F)c1
InChIInChI=1S/C14H12ClF2NO/c15-14-10(2-1-3-11(14)16)8-19-13-5-4-9(7-18)6-12(13)17/h1-6H,7-8,18H2
InChIKeyQGJJGYAVBWBDCO-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.66
Rot. Bonds4

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

[4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine (PubChem CID 107686266) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is [4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
PubChem CID107686266
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name[4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
SMILESNCc1ccc(OCc2cccc(F)c2Cl)c(F)c1
InChIInChI=1S/C14H12ClF2NO/c15-14-10(2-1-3-11(14)16)8-19-13-5-4-9(7-18)6-12(13)17/h1-6H,7-8,18H2
InChIKeyQGJJGYAVBWBDCO-UHFFFAOYSA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[(2-chloro-3-fluorophenyl)methoxy]-3-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

[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686326
[4-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 115982659
2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 115984038
[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine
CID 82828276
2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692529
[3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 102855702
[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 107690673
3-[[4-(aminomethyl)-2-fluorophenoxy]methyl]-2-fluorobenzonitrile
CID 107686265
1-[[2-bromo-4-(chloromethyl)phenoxy]methyl]-2-chloro-3-fluorobenzene
CID 112652538
[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686337
1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene
CID 107698873
[3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine
CID 102663575

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine?
The IUPAC name of [4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine (CID 107686266) is [4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine?
The canonical SMILES for [4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine is NCc1ccc(OCc2cccc(F)c2Cl)c(F)c1.
What is the InChIKey of [4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine?
The InChIKey is QGJJGYAVBWBDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c15-14-10(2-1-3-11(14)16)8-19-13-5-4-9(7-18)6-12(13)17/h1-6H,7-8,18H2.
What are the key properties of [4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine?
[4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine has a molecular weight of 283.71 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine is sourced from PubChem (CID 107686266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).