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

C16H18FNO — CID 63801756

IUPAC1-[4-(4-fluorophenoxy)-2-methylphenyl]propan-2-amine
SMILESCc1cc(Oc2ccc(F)cc2)ccc1CC(C)N
InChIInChI=1S/C16H18FNO/c1-11-9-16(6-3-13(11)10-12(2)18)19-15-7-4-14(17)5-8-15/h3-9,12H,10,18H2,1-2H3
InChIKeySQFJEEOQBYQGSL-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.82
Rot. Bonds4

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

1-[4-(4-fluorophenoxy)-2-methylphenyl]propan-2-amine (PubChem CID 63801756) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)-2-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)-2-methylphenyl]propan-2-amine
PubChem CID63801756
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-[4-(4-fluorophenoxy)-2-methylphenyl]propan-2-amine
SMILESCc1cc(Oc2ccc(F)cc2)ccc1CC(C)N
InChIInChI=1S/C16H18FNO/c1-11-9-16(6-3-13(11)10-12(2)18)19-15-7-4-14(17)5-8-15/h3-9,12H,10,18H2,1-2H3
InChIKeySQFJEEOQBYQGSL-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-fluoro-5-methylphenoxy)-2-methylphenyl]propan-2-amine
CID 64855867
1-[4-(2-methoxyphenoxy)-2-methylphenyl]propan-2-amine
CID 63803634
4-(2-aminopropyl)-N-(4-fluorophenyl)-N,3-dimethylaniline
CID 63816152
N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 62130842
2-methyl-1-(2-methylpropyl)-4-[4-(trifluoromethoxy)phenoxy]benzene
CID 90327154
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
1-[4-(4-chlorophenoxy)-2-methylphenyl]butan-2-amine
CID 63802763
1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine
CID 107726942
1-[4-(3,5-difluorophenoxy)phenyl]propan-2-amine
CID 63802154
1-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]butan-2-amine
CID 82718867
1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63802818
2-(2-aminopropyl)-5-fluorophenol
CID 83695312

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)-2-methylphenyl]propan-2-amine?
The IUPAC name of 1-[4-(4-fluorophenoxy)-2-methylphenyl]propan-2-amine (CID 63801756) is 1-[4-(4-fluorophenoxy)-2-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)-2-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[4-(4-fluorophenoxy)-2-methylphenyl]propan-2-amine is Cc1cc(Oc2ccc(F)cc2)ccc1CC(C)N.
What is the InChIKey of 1-[4-(4-fluorophenoxy)-2-methylphenyl]propan-2-amine?
The InChIKey is SQFJEEOQBYQGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-9-16(6-3-13(11)10-12(2)18)19-15-7-4-14(17)5-8-15/h3-9,12H,10,18H2,1-2H3.
What are the key properties of 1-[4-(4-fluorophenoxy)-2-methylphenyl]propan-2-amine?
1-[4-(4-fluorophenoxy)-2-methylphenyl]propan-2-amine has a molecular weight of 259.32 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)-2-methylphenyl]propan-2-amine is sourced from PubChem (CID 63801756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).