2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine

C16H18FNO — CID 63326109

IUPAC2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
SMILESCc1ccc(OCc2ccc(F)cc2)c(CCN)c1
InChIInChI=1S/C16H18FNO/c1-12-2-7-16(14(10-12)8-9-18)19-11-13-3-5-15(17)6-4-13/h2-7,10H,8-9,11,18H2,1H3
InChIKeyHXMBHZCHJCJQGS-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.21
Rot. Bonds5

About 2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine

2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine (PubChem CID 63326109) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
PubChem CID63326109
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
SMILESCc1ccc(OCc2ccc(F)cc2)c(CCN)c1
InChIInChI=1S/C16H18FNO/c1-12-2-7-16(14(10-12)8-9-18)19-11-13-3-5-15(17)6-4-13/h2-7,10H,8-9,11,18H2,1H3
InChIKeyHXMBHZCHJCJQGS-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-(bromomethyl)-1-[(4-fluorophenyl)methoxy]-4-methylbenzene
CID 63535072
2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 60906080
2-[3,4-bis[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 134127167
2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63325848
2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107700281
3-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-amine
CID 60801205
2-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine
CID 102986660
[5-fluoro-2-[(4-methylphenyl)methoxy]phenyl]methanol
CID 107698416
2-[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]ethanamine
CID 107700478
2-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 63326313
potassium trifluoro-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boranuide
CID 63678321
4-[3,4-bis[(4-methylphenyl)methoxy]phenyl]butan-1-amine;4-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]butan-1-amine;4-[4-[(4-fluorophenyl)methoxy]-3-[(4-methylphenyl)methoxy]phenyl]butan-1-amine
CID 160724233

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine?
The IUPAC name of 2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine (CID 63326109) is 2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine.
What is the SMILES notation for 2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine?
The canonical SMILES for 2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine is Cc1ccc(OCc2ccc(F)cc2)c(CCN)c1.
What is the InChIKey of 2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine?
The InChIKey is HXMBHZCHJCJQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12-2-7-16(14(10-12)8-9-18)19-11-13-3-5-15(17)6-4-13/h2-7,10H,8-9,11,18H2,1H3.
What are the key properties of 2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine?
2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]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-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine is sourced from PubChem (CID 63326109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).