1-[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine

C16H16F3NO — CID 105402735

IUPAC1-[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCc2cc(F)cc(F)c2)c(F)c1
InChIInChI=1S/C16H16F3NO/c1-10(20-2)12-3-4-16(15(19)7-12)21-9-11-5-13(17)8-14(18)6-11/h3-8,10,20H,9H2,1-2H3
InChIKeyJLVYSXYNVDXZEK-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.96
Rot. Bonds5

About 1-[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine

1-[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine (PubChem CID 105402735) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine
PubChem CID105402735
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCc2cc(F)cc(F)c2)c(F)c1
InChIInChI=1S/C16H16F3NO/c1-10(20-2)12-3-4-16(15(19)7-12)21-9-11-5-13(17)8-14(18)6-11/h3-8,10,20H,9H2,1-2H3
InChIKeyJLVYSXYNVDXZEK-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 93009968
1-[4-[(3-bromophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine
CID 82824039
1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 63937562
1-[2-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 114492391
1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine
CID 79698106
1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 60966128
1-[3-fluoro-4-(4-propylphenoxy)phenyl]-N-methylethanamine
CID 63534051
1-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]-N-methylethanamine
CID 43285091
1-[3-fluoro-4-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285113
1-[4-(4-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285448
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207
1-[3-fluoro-4-(oxan-2-ylmethoxy)phenyl]-N-methylethanamine
CID 43285198

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine (CID 105402735) is 1-[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine is CNC(C)c1ccc(OCc2cc(F)cc(F)c2)c(F)c1.
What is the InChIKey of 1-[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine?
The InChIKey is JLVYSXYNVDXZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-10(20-2)12-3-4-16(15(19)7-12)21-9-11-5-13(17)8-14(18)6-11/h3-8,10,20H,9H2,1-2H3.
What are the key properties of 1-[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine?
1-[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine has a molecular weight of 295.30 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 105402735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).