2-[(3-fluorophenyl)-(2-methylphenyl)methoxy]ethanamine

C16H18FNO — CID 11680468

IUPAC2-[(3-fluorophenyl)-(2-methylphenyl)methoxy]ethanamine
SMILESCc1ccccc1C(OCCN)c1cccc(F)c1
InChIInChI=1S/C16H18FNO/c1-12-5-2-3-8-15(12)16(19-10-9-18)13-6-4-7-14(17)11-13/h2-8,11,16H,9-10,18H2,1H3
InChIKeyJIORKMSFDIXDBD-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.20
Rot. Bonds5

About 2-[(3-fluorophenyl)-(2-methylphenyl)methoxy]ethanamine

2-[(3-fluorophenyl)-(2-methylphenyl)methoxy]ethanamine (PubChem CID 11680468) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)-(2-methylphenyl)methoxy]ethanamine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)-(2-methylphenyl)methoxy]ethanamine
PubChem CID11680468
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-[(3-fluorophenyl)-(2-methylphenyl)methoxy]ethanamine
SMILESCc1ccccc1C(OCCN)c1cccc(F)c1
InChIInChI=1S/C16H18FNO/c1-12-5-2-3-8-15(12)16(19-10-9-18)13-6-4-7-14(17)11-13/h2-8,11,16H,9-10,18H2,1H3
InChIKeyJIORKMSFDIXDBD-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)-(2-methylphenyl)methoxy]ethanamine?
The IUPAC name of 2-[(3-fluorophenyl)-(2-methylphenyl)methoxy]ethanamine (CID 11680468) is 2-[(3-fluorophenyl)-(2-methylphenyl)methoxy]ethanamine.
What is the SMILES notation for 2-[(3-fluorophenyl)-(2-methylphenyl)methoxy]ethanamine?
The canonical SMILES for 2-[(3-fluorophenyl)-(2-methylphenyl)methoxy]ethanamine is Cc1ccccc1C(OCCN)c1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)-(2-methylphenyl)methoxy]ethanamine?
The InChIKey is JIORKMSFDIXDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12-5-2-3-8-15(12)16(19-10-9-18)13-6-4-7-14(17)11-13/h2-8,11,16H,9-10,18H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)-(2-methylphenyl)methoxy]ethanamine?
2-[(3-fluorophenyl)-(2-methylphenyl)methoxy]ethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)-(2-methylphenyl)methoxy]ethanamine is sourced from PubChem (CID 11680468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).