1-[2-chloro-6-[(2,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine

C15H14ClF2NO — CID 114318794

IUPAC1-[2-chloro-6-[(2,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1OCc1ccc(F)cc1F
InChIInChI=1S/C15H14ClF2NO/c1-19-8-12-13(16)3-2-4-15(12)20-9-10-5-6-11(17)7-14(10)18/h2-7,19H,8-9H2,1H3
InChIKeyYACUFVMYBFRRNI-UHFFFAOYSA-N
MW297.73 g/mol
LogP3.92
Rot. Bonds5

About 1-[2-chloro-6-[(2,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine

1-[2-chloro-6-[(2,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 114318794) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 1-[2-chloro-6-[(2,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-6-[(2,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
PubChem CID114318794
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name1-[2-chloro-6-[(2,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1OCc1ccc(F)cc1F
InChIInChI=1S/C15H14ClF2NO/c1-19-8-12-13(16)3-2-4-15(12)20-9-10-5-6-11(17)7-14(10)18/h2-7,19H,8-9H2,1H3
InChIKeyYACUFVMYBFRRNI-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-chloro-6-[(2,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine 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-[2-chloro-6-[(3-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 114318666
[2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 114848279
1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 114345835
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline
CID 104815678
1-[(4-bromo-2-fluorophenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene
CID 113276980
1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine
CID 114318854
1-[2-chloro-6-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
CID 114318632
2-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321633
N-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695682
1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 78957726
1-[2-[(E)-but-2-enoxy]-6-chlorophenyl]-N-methylmethanamine
CID 114318815
1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine
CID 114318647

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-[(2,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-6-[(2,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine (CID 114318794) is 1-[2-chloro-6-[(2,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-6-[(2,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-6-[(2,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine is CNCc1c(Cl)cccc1OCc1ccc(F)cc1F.
What is the InChIKey of 1-[2-chloro-6-[(2,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is YACUFVMYBFRRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-19-8-12-13(16)3-2-4-15(12)20-9-10-5-6-11(17)7-14(10)18/h2-7,19H,8-9H2,1H3.
What are the key properties of 1-[2-chloro-6-[(2,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine?
1-[2-chloro-6-[(2,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 297.73 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-[(2,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 114318794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).