2-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine

C16H18FNO — CID 102986660

IUPAC2-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine
SMILESCc1ccc(F)cc1OCc1ccc(CCN)cc1
InChIInChI=1S/C16H18FNO/c1-12-2-7-15(17)10-16(12)19-11-14-5-3-13(4-6-14)8-9-18/h2-7,10H,8-9,11,18H2,1H3
InChIKeyAPVDLKMCHUZUKS-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.21
Rot. Bonds5

About 2-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine

2-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine (PubChem CID 102986660) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine
PubChem CID102986660
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine
SMILESCc1ccc(F)cc1OCc1ccc(CCN)cc1
InChIInChI=1S/C16H18FNO/c1-12-2-7-15(17)10-16(12)19-11-14-5-3-13(4-6-14)8-9-18/h2-7,10H,8-9,11,18H2,1H3
InChIKeyAPVDLKMCHUZUKS-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-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350826
2-[2-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine
CID 102986586
1-chloro-2-fluoro-4-[(5-fluoro-2-methylphenoxy)methyl]benzene
CID 107888398
2-[3,4-bis[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 134127167
N-[[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 102986333
2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63326109
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine
CID 105350576
[4-[2-(5-fluoro-2-methylphenoxy)ethoxy]phenyl]methanamine
CID 102980810
2-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 114348483
4-[(5-fluoro-2-methylphenoxy)methyl]pyridine-2-carbothioamide
CID 102981850
2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 114348469
2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]ethanamine
CID 105350788

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine?
The IUPAC name of 2-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine (CID 102986660) is 2-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine is Cc1ccc(F)cc1OCc1ccc(CCN)cc1.
What is the InChIKey of 2-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine?
The InChIKey is APVDLKMCHUZUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12-2-7-15(17)10-16(12)19-11-14-5-3-13(4-6-14)8-9-18/h2-7,10H,8-9,11,18H2,1H3.
What are the key properties of 2-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine?
2-[4-[(5-fluoro-2-methylphenoxy)methyl]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-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine is sourced from PubChem (CID 102986660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).