(1S)-1-[2-[(2,5-difluorophenyl)methoxy]-4-methylphenyl]ethanamine

C16H17F2NO — CID 78947419

IUPAC(1S)-1-[2-[(2,5-difluorophenyl)methoxy]-4-methylphenyl]ethanamine
SMILESCc1ccc([C@H](C)N)c(OCc2cc(F)ccc2F)c1
InChIInChI=1S/C16H17F2NO/c1-10-3-5-14(11(2)19)16(7-10)20-9-12-8-13(17)4-6-15(12)18/h3-8,11H,9,19H2,1-2H3/t11-/m0/s1
InChIKeyRXRADEIKSPJCSB-NSHDSACASA-N
MW277.31 g/mol
LogP3.87
Rot. Bonds4

About (1S)-1-[2-[(2,5-difluorophenyl)methoxy]-4-methylphenyl]ethanamine

(1S)-1-[2-[(2,5-difluorophenyl)methoxy]-4-methylphenyl]ethanamine (PubChem CID 78947419) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is (1S)-1-[2-[(2,5-difluorophenyl)methoxy]-4-methylphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[(2,5-difluorophenyl)methoxy]-4-methylphenyl]ethanamine
PubChem CID78947419
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name(1S)-1-[2-[(2,5-difluorophenyl)methoxy]-4-methylphenyl]ethanamine
SMILESCc1ccc([C@H](C)N)c(OCc2cc(F)ccc2F)c1
InChIInChI=1S/C16H17F2NO/c1-10-3-5-14(11(2)19)16(7-10)20-9-12-8-13(17)4-6-15(12)18/h3-8,11H,9,19H2,1-2H3/t11-/m0/s1
InChIKeyRXRADEIKSPJCSB-NSHDSACASA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-[(2,5-difluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63367183
(1R)-1-[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947233
3-[[2-(1-aminoethyl)-5-methylphenoxy]methyl]-4-fluorobenzonitrile
CID 63640090
3-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]-4-fluorobenzonitrile
CID 63368105
(1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 78933101
1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 63641471
1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 62369042
(1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethanol
CID 103046969
1-[4-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 55244186
(1R)-1-[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 82919188
(1R)-1-[4-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 103046500
2-(2,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791557

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(2,5-difluorophenyl)methoxy]-4-methylphenyl]ethanamine?
The IUPAC name of (1S)-1-[2-[(2,5-difluorophenyl)methoxy]-4-methylphenyl]ethanamine (CID 78947419) is (1S)-1-[2-[(2,5-difluorophenyl)methoxy]-4-methylphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[(2,5-difluorophenyl)methoxy]-4-methylphenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-[(2,5-difluorophenyl)methoxy]-4-methylphenyl]ethanamine is Cc1ccc([C@H](C)N)c(OCc2cc(F)ccc2F)c1.
What is the InChIKey of (1S)-1-[2-[(2,5-difluorophenyl)methoxy]-4-methylphenyl]ethanamine?
The InChIKey is RXRADEIKSPJCSB-NSHDSACASA-N. The full InChI is InChI=1S/C16H17F2NO/c1-10-3-5-14(11(2)19)16(7-10)20-9-12-8-13(17)4-6-15(12)18/h3-8,11H,9,19H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-[(2,5-difluorophenyl)methoxy]-4-methylphenyl]ethanamine?
(1S)-1-[2-[(2,5-difluorophenyl)methoxy]-4-methylphenyl]ethanamine has a molecular weight of 277.31 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(2,5-difluorophenyl)methoxy]-4-methylphenyl]ethanamine is sourced from PubChem (CID 78947419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).