1-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine

C15H14ClF2NO — CID 43658765

IUPAC1-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1OCc1cccc(F)c1F
InChIInChI=1S/C15H14ClF2NO/c1-19-8-11-7-12(16)5-6-14(11)20-9-10-3-2-4-13(17)15(10)18/h2-7,19H,8-9H2,1H3
InChIKeyOSADEWUZSRBAJE-UHFFFAOYSA-N
MW297.73 g/mol
LogP3.92
Rot. Bonds5

About 1-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine

1-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 43658765) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 1-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
PubChem CID43658765
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name1-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1OCc1cccc(F)c1F
InChIInChI=1S/C15H14ClF2NO/c1-19-8-11-7-12(16)5-6-14(11)20-9-10-3-2-4-13(17)15(10)18/h2-7,19H,8-9H2,1H3
InChIKeyOSADEWUZSRBAJE-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

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Related Compounds

1-[4-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686784
1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43646631
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
1,4-dichloro-2-[(2,3-difluorophenyl)methoxy]benzene
CID 78915283
1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 62699888
1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 65318694
1-[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 115952543
1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 60882008
1-[3-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 43658767
1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 114930094
1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene
CID 55224386
[5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine
CID 104791271

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine (CID 43658765) is 1-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1OCc1cccc(F)c1F.
What is the InChIKey of 1-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is OSADEWUZSRBAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-19-8-11-7-12(16)5-6-14(11)20-9-10-3-2-4-13(17)15(10)18/h2-7,19H,8-9H2,1H3.
What are the key properties of 1-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine?
1-[5-chloro-2-[(2,3-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-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 43658765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).