1-(2,5-difluorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine

C17H19F2NO — CID 61004386

IUPAC1-(2,5-difluorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine
SMILESCOCc1cccc(CNC(C)c2cc(F)ccc2F)c1
InChIInChI=1S/C17H19F2NO/c1-12(16-9-15(18)6-7-17(16)19)20-10-13-4-3-5-14(8-13)11-21-2/h3-9,12,20H,10-11H2,1-2H3
InChIKeyFVQZNDZICZHDHE-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.96
Rot. Bonds6

About 1-(2,5-difluorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine

1-(2,5-difluorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine (PubChem CID 61004386) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine
PubChem CID61004386
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-(2,5-difluorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine
SMILESCOCc1cccc(CNC(C)c2cc(F)ccc2F)c1
InChIInChI=1S/C17H19F2NO/c1-12(16-9-15(18)6-7-17(16)19)20-10-13-4-3-5-14(8-13)11-21-2/h3-9,12,20H,10-11H2,1-2H3
InChIKeyFVQZNDZICZHDHE-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(2,5-difluorophenyl)ethylamino]methyl]benzonitrile
CID 43433776
(1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine
CID 81380322
1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43674183
N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
CID 61003374
1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43123250
(1R)-1-(2,4-difluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 41061626
methyl 3-[[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]methyl]benzoate
CID 124572671
(2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol
CID 114986461
1-(2-bromo-4-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 103776784
4,4,4-trifluoro-N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
CID 103777686
1-(5-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine
CID 82964641
1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943659

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine (CID 61004386) is 1-(2,5-difluorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine is COCc1cccc(CNC(C)c2cc(F)ccc2F)c1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine?
The InChIKey is FVQZNDZICZHDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-12(16-9-15(18)6-7-17(16)19)20-10-13-4-3-5-14(8-13)11-21-2/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine?
1-(2,5-difluorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine has a molecular weight of 291.34 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 61004386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).