1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine

C16H17F2NO — CID 63937562

IUPAC1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCc2ccccc2F)c(F)c1
InChIInChI=1S/C16H17F2NO/c1-11(19-2)12-7-8-16(15(18)9-12)20-10-13-5-3-4-6-14(13)17/h3-9,11,19H,10H2,1-2H3
InChIKeyDMHQGPRMXQCTLS-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.82
Rot. Bonds5

About 1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine

1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine (PubChem CID 63937562) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
PubChem CID63937562
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCc2ccccc2F)c(F)c1
InChIInChI=1S/C16H17F2NO/c1-11(19-2)12-7-8-16(15(18)9-12)20-10-13-5-3-4-6-14(13)17/h3-9,11,19H,10H2,1-2H3
InChIKeyDMHQGPRMXQCTLS-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 93009968
(1R)-1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63937359
1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 43279242
1-[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine
CID 105402735
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 82975373
1-[4-[(3-bromophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine
CID 82824039
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine
CID 43285605
1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63937758
1-[2-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 114492391
(1S)-1-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 78955044
N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 43279629
N-ethyl-1-[5-fluoro-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63934918

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine (CID 63937562) is 1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine is CNC(C)c1ccc(OCc2ccccc2F)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine?
The InChIKey is DMHQGPRMXQCTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-11(19-2)12-7-8-16(15(18)9-12)20-10-13-5-3-4-6-14(13)17/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine?
1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine has a molecular weight of 277.31 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 63937562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).