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

C16H18FNO — CID 114345723

IUPAC1-[2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
SMILESCc1cc(F)ccc1COc1ccccc1C(C)N
InChIInChI=1S/C16H18FNO/c1-11-9-14(17)8-7-13(11)10-19-16-6-4-3-5-15(16)12(2)18/h3-9,12H,10,18H2,1-2H3
InChIKeyHWPAOUHHNBRBBZ-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.73
Rot. Bonds4

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

1-[2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine (PubChem CID 114345723) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-[2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
PubChem CID114345723
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-[2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
SMILESCc1cc(F)ccc1COc1ccccc1C(C)N
InChIInChI=1S/C16H18FNO/c1-11-9-14(17)8-7-13(11)10-19-16-6-4-3-5-15(16)12(2)18/h3-9,12H,10,18H2,1-2H3
InChIKeyHWPAOUHHNBRBBZ-UHFFFAOYSA-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

(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 30079943
4-[[2-(1-aminoethyl)phenoxy]methyl]-3-methylbenzonitrile
CID 114479449
(1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine
CID 106861855
(1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 104894045
1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 114345722
(1S)-1-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 104894054
1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 60880694
1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 112651722
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethanamine
CID 106861888
(1R)-1-[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947233
3-[(4-fluoro-2-methylphenyl)methoxy]pyridin-2-amine
CID 114345632
(1R)-1-[2-[(2,5-difluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63367183

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine (CID 114345723) is 1-[2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine is Cc1cc(F)ccc1COc1ccccc1C(C)N.
What is the InChIKey of 1-[2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is HWPAOUHHNBRBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-9-14(17)8-7-13(11)10-19-16-6-4-3-5-15(16)12(2)18/h3-9,12H,10,18H2,1-2H3.
What are the key properties of 1-[2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine?
1-[2-[(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 1-[2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 114345723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).