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

C14H12ClF2NO — CID 81155141

IUPAC1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2cc(F)ccc2F)c(Cl)c1
InChIInChI=1S/C14H12ClF2NO/c1-18-8-9-2-5-13(11(15)6-9)19-14-7-10(16)3-4-12(14)17/h2-7,18H,8H2,1H3
InChIKeyQYNUGOKLLJXQKP-UHFFFAOYSA-N
MW283.71 g/mol
LogP4.13
Rot. Bonds4

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

1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine (PubChem CID 81155141) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is 1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine
PubChem CID81155141
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2cc(F)ccc2F)c(Cl)c1
InChIInChI=1S/C14H12ClF2NO/c1-18-8-9-2-5-13(11(15)6-9)19-14-7-10(16)3-4-12(14)17/h2-7,18H,8H2,1H3
InChIKeyQYNUGOKLLJXQKP-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine
CID 81154995
1-[3-fluoro-4-(2,4,5-trichlorophenoxy)phenyl]-N-methylmethanamine
CID 43282453
1-[3-(2,4-dichlorophenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105406792
1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 82918677
1-[4-(3-bromo-5-fluorophenoxy)-3-chlorophenyl]-N-methylmethanamine
CID 81331494
N-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine
CID 102990193
1-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531306
1-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531214
1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylethanamine
CID 63269825
1-[4-(5-bromo-2-fluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 114674328
1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43283411
1-[4-(5-bromo-2-chlorophenoxy)-3-chlorophenyl]-N-methylmethanamine
CID 81154583

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine (CID 81155141) is 1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine is CNCc1ccc(Oc2cc(F)ccc2F)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine?
The InChIKey is QYNUGOKLLJXQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c1-18-8-9-2-5-13(11(15)6-9)19-14-7-10(16)3-4-12(14)17/h2-7,18H,8H2,1H3.
What are the key properties of 1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine?
1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine has a molecular weight of 283.71 g/mol, XLogP of 4.13, 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-methylmethanamine is sourced from PubChem (CID 81155141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).