(1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine

C16H18FNO — CID 104894045

IUPAC(1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
SMILESCc1cc(F)ccc1COc1ccc([C@@H](C)N)cc1
InChIInChI=1S/C16H18FNO/c1-11-9-15(17)6-3-14(11)10-19-16-7-4-13(5-8-16)12(2)18/h3-9,12H,10,18H2,1-2H3/t12-/m1/s1
InChIKeyQNHNYDWPADLWSF-GFCCVEGCSA-N
MW259.32 g/mol
LogP3.73
Rot. Bonds4

About (1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine

(1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine (PubChem CID 104894045) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is (1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
PubChem CID104894045
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name(1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
SMILESCc1cc(F)ccc1COc1ccc([C@@H](C)N)cc1
InChIInChI=1S/C16H18FNO/c1-11-9-15(17)6-3-14(11)10-19-16-7-4-13(5-8-16)12(2)18/h3-9,12H,10,18H2,1-2H3/t12-/m1/s1
InChIKeyQNHNYDWPADLWSF-GFCCVEGCSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 114345722
(1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanol
CID 104894080
(1S)-1-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 104894054
(1S)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 78933004
2-[[4-(1-aminoethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107902665
(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 104980107
1-[2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 114345723
4-[(4-fluorophenoxy)methyl]-3-methylphenol
CID 117219687
1-[4-[(2,4-difluorophenyl)methoxy]phenyl]ethanol
CID 62196202
[2-[(4-butan-2-ylphenoxy)methyl]-5-fluorophenyl]methanamine
CID 107664056
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78933049
(1S)-1-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107719182

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine (CID 104894045) is (1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine is Cc1cc(F)ccc1COc1ccc([C@@H](C)N)cc1.
What is the InChIKey of (1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is QNHNYDWPADLWSF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-9-15(17)6-3-14(11)10-19-16-7-4-13(5-8-16)12(2)18/h3-9,12H,10,18H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine?
(1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 104894045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).