1-[4-(2-fluoro-5-methylphenoxy)-2-methylphenyl]propan-2-amine

C17H20FNO — CID 64855867

IUPAC1-[4-(2-fluoro-5-methylphenoxy)-2-methylphenyl]propan-2-amine
SMILESCc1ccc(F)c(Oc2ccc(CC(C)N)c(C)c2)c1
InChIInChI=1S/C17H20FNO/c1-11-4-7-16(18)17(8-11)20-15-6-5-14(10-13(3)19)12(2)9-15/h4-9,13H,10,19H2,1-3H3
InChIKeyXBSRCOHYAWHRHR-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.12
Rot. Bonds4

About 1-[4-(2-fluoro-5-methylphenoxy)-2-methylphenyl]propan-2-amine

1-[4-(2-fluoro-5-methylphenoxy)-2-methylphenyl]propan-2-amine (PubChem CID 64855867) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-[4-(2-fluoro-5-methylphenoxy)-2-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2-fluoro-5-methylphenoxy)-2-methylphenyl]propan-2-amine
PubChem CID64855867
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-[4-(2-fluoro-5-methylphenoxy)-2-methylphenyl]propan-2-amine
SMILESCc1ccc(F)c(Oc2ccc(CC(C)N)c(C)c2)c1
InChIInChI=1S/C17H20FNO/c1-11-4-7-16(18)17(8-11)20-15-6-5-14(10-13(3)19)12(2)9-15/h4-9,13H,10,19H2,1-3H3
InChIKeyXBSRCOHYAWHRHR-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-fluorophenoxy)-2-methylphenyl]propan-2-amine
CID 63801756
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
1-[4-(2-methoxyphenoxy)-2-methylphenyl]propan-2-amine
CID 63803634
1-[4-(2,5-dimethylphenoxy)-2-methylphenyl]butan-2-amine
CID 63802262
1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63802818
1-[3-(2-fluoro-5-methylphenoxy)phenyl]ethanamine
CID 79167584
1-[4-chloro-2-(3-methylphenoxy)phenyl]propan-2-amine
CID 114862908
1-[2-(2,5-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63803167
[2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine
CID 107926537
1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine
CID 114863110
4-(2-fluoro-5-methylphenoxy)-2-methylbenzenecarbothioamide
CID 81277338
1-[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]propan-2-amine
CID 114677140

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoro-5-methylphenoxy)-2-methylphenyl]propan-2-amine?
The IUPAC name of 1-[4-(2-fluoro-5-methylphenoxy)-2-methylphenyl]propan-2-amine (CID 64855867) is 1-[4-(2-fluoro-5-methylphenoxy)-2-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(2-fluoro-5-methylphenoxy)-2-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[4-(2-fluoro-5-methylphenoxy)-2-methylphenyl]propan-2-amine is Cc1ccc(F)c(Oc2ccc(CC(C)N)c(C)c2)c1.
What is the InChIKey of 1-[4-(2-fluoro-5-methylphenoxy)-2-methylphenyl]propan-2-amine?
The InChIKey is XBSRCOHYAWHRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-11-4-7-16(18)17(8-11)20-15-6-5-14(10-13(3)19)12(2)9-15/h4-9,13H,10,19H2,1-3H3.
What are the key properties of 1-[4-(2-fluoro-5-methylphenoxy)-2-methylphenyl]propan-2-amine?
1-[4-(2-fluoro-5-methylphenoxy)-2-methylphenyl]propan-2-amine has a molecular weight of 273.35 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoro-5-methylphenoxy)-2-methylphenyl]propan-2-amine is sourced from PubChem (CID 64855867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).