2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine

C16H18FNO — CID 112615255

IUPAC2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine
SMILESCc1cccc(COc2c(F)cccc2CCN)c1
InChIInChI=1S/C16H18FNO/c1-12-4-2-5-13(10-12)11-19-16-14(8-9-18)6-3-7-15(16)17/h2-7,10H,8-9,11,18H2,1H3
InChIKeyNHJHAOHYHWIWAN-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.21
Rot. Bonds5

About 2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine

2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine (PubChem CID 112615255) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine
PubChem CID112615255
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine
SMILESCc1cccc(COc2c(F)cccc2CCN)c1
InChIInChI=1S/C16H18FNO/c1-12-4-2-5-13(10-12)11-19-16-14(8-9-18)6-3-7-15(16)17/h2-7,10H,8-9,11,18H2,1H3
InChIKeyNHJHAOHYHWIWAN-UHFFFAOYSA-N
XLogP3.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115957934
2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 112615158
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 115957662
2-[3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanamine
CID 112615166
2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115984055
[3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine
CID 112607698
2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 112614778
2-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 112615245
[3-fluoro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 115952103
2-(3-fluoro-2-pentoxyphenyl)ethanamine
CID 112615154
2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 112615303
2-[2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 115957707

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine (CID 112615255) is 2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine is Cc1cccc(COc2c(F)cccc2CCN)c1.
What is the InChIKey of 2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is NHJHAOHYHWIWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12-4-2-5-13(10-12)11-19-16-14(8-9-18)6-3-7-15(16)17/h2-7,10H,8-9,11,18H2,1H3.
What are the key properties of 2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine?
2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 112615255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).