1-(2-fluorophenoxy)-1-(4-methylphenyl)propan-2-amine

C16H18FNO — CID 55016476

IUPAC1-(2-fluorophenoxy)-1-(4-methylphenyl)propan-2-amine
SMILESCc1ccc(C(Oc2ccccc2F)C(C)N)cc1
InChIInChI=1S/C16H18FNO/c1-11-7-9-13(10-8-11)16(12(2)18)19-15-6-4-3-5-14(15)17/h3-10,12,16H,18H2,1-2H3
InChIKeyZTOFPAZBENZMFG-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.60
Rot. Bonds4

About 1-(2-fluorophenoxy)-1-(4-methylphenyl)propan-2-amine

1-(2-fluorophenoxy)-1-(4-methylphenyl)propan-2-amine (PubChem CID 55016476) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(2-fluorophenoxy)-1-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenoxy)-1-(4-methylphenyl)propan-2-amine
PubChem CID55016476
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-(2-fluorophenoxy)-1-(4-methylphenyl)propan-2-amine
SMILESCc1ccc(C(Oc2ccccc2F)C(C)N)cc1
InChIInChI=1S/C16H18FNO/c1-11-7-9-13(10-8-11)16(12(2)18)19-15-6-4-3-5-14(15)17/h3-10,12,16H,18H2,1-2H3
InChIKeyZTOFPAZBENZMFG-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenoxy)-1-(4-fluorophenyl)propan-2-amine
CID 63037095
1-(4-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine
CID 107656348
1-(2,3-difluorophenoxy)-1-(4-methylphenyl)butan-2-amine
CID 63036389
1-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)butan-2-amine
CID 64855572
1-(2-fluoro-5-methylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 64856151
1-(2-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
CID 55020178
1-(3-chlorophenyl)-1-(2,3-difluorophenoxy)propan-2-amine
CID 63038314
1-(2-fluorophenoxy)ethanethiol
CID 166973393
(2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99132269
1-(3-ethoxyphenoxy)-1-(4-methylphenyl)propan-2-amine
CID 62337452
S-(4-methylphenyl) 2-(2-fluorophenoxy)propanethioate
CID 3324555
4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine
CID 82138025

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenoxy)-1-(4-methylphenyl)propan-2-amine?
The IUPAC name of 1-(2-fluorophenoxy)-1-(4-methylphenyl)propan-2-amine (CID 55016476) is 1-(2-fluorophenoxy)-1-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-fluorophenoxy)-1-(4-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-fluorophenoxy)-1-(4-methylphenyl)propan-2-amine is Cc1ccc(C(Oc2ccccc2F)C(C)N)cc1.
What is the InChIKey of 1-(2-fluorophenoxy)-1-(4-methylphenyl)propan-2-amine?
The InChIKey is ZTOFPAZBENZMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-7-9-13(10-8-11)16(12(2)18)19-15-6-4-3-5-14(15)17/h3-10,12,16H,18H2,1-2H3.
What are the key properties of 1-(2-fluorophenoxy)-1-(4-methylphenyl)propan-2-amine?
1-(2-fluorophenoxy)-1-(4-methylphenyl)propan-2-amine has a molecular weight of 259.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenoxy)-1-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 55016476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).