1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylethanamine

C15H14ClF2NO — CID 63269825

IUPAC1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2cc(F)ccc2F)c(Cl)c1
InChIInChI=1S/C15H14ClF2NO/c1-9(19-2)10-3-6-14(12(16)7-10)20-15-8-11(17)4-5-13(15)18/h3-9,19H,1-2H3
InChIKeyBYAHBFIJWVGKCB-UHFFFAOYSA-N
MW297.73 g/mol
LogP4.69
Rot. Bonds4

About 1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylethanamine

1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylethanamine (PubChem CID 63269825) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylethanamine
PubChem CID63269825
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2cc(F)ccc2F)c(Cl)c1
InChIInChI=1S/C15H14ClF2NO/c1-9(19-2)10-3-6-14(12(16)7-10)20-15-8-11(17)4-5-13(15)18/h3-9,19H,1-2H3
InChIKeyBYAHBFIJWVGKCB-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 60966128
1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]-N-methylethanamine
CID 63878644
1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]-N-methylethanamine
CID 107099972
1-[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982259
1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine
CID 81155141
1-[3-chloro-4-(2,5-difluorophenyl)sulfanylphenyl]-N-methylethanamine
CID 63533351
1-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylethanamine
CID 114345847
1-[4-(5-bromo-2-fluorophenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 114673824
1-[4-(4-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285448
3-chloro-4-(2,5-difluorophenoxy)aniline
CID 63268649
1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylethanamine
CID 82540185
1-[3-chloro-4-(2,3,6-trimethylphenoxy)phenyl]-N-methylethanamine
CID 63533324

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylethanamine (CID 63269825) is 1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylethanamine is CNC(C)c1ccc(Oc2cc(F)ccc2F)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylethanamine?
The InChIKey is BYAHBFIJWVGKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-9(19-2)10-3-6-14(12(16)7-10)20-15-8-11(17)4-5-13(15)18/h3-9,19H,1-2H3.
What are the key properties of 1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylethanamine?
1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylethanamine has a molecular weight of 297.73 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 63269825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).