3-(5-fluoro-2-methylphenoxy)-2-methyl-N-propan-2-ylpropan-1-amine

C14H22FNO — CID 102990248

IUPAC3-(5-fluoro-2-methylphenoxy)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCc1ccc(F)cc1OCC(C)CNC(C)C
InChIInChI=1S/C14H22FNO/c1-10(2)16-8-11(3)9-17-14-7-13(15)6-5-12(14)4/h5-7,10-11,16H,8-9H2,1-4H3
InChIKeyPGSQRTXERAAEHC-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.15
Rot. Bonds6

About 3-(5-fluoro-2-methylphenoxy)-2-methyl-N-propan-2-ylpropan-1-amine

3-(5-fluoro-2-methylphenoxy)-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 102990248) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylphenoxy)-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-methylphenoxy)-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID102990248
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name3-(5-fluoro-2-methylphenoxy)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCc1ccc(F)cc1OCC(C)CNC(C)C
InChIInChI=1S/C14H22FNO/c1-10(2)16-8-11(3)9-17-14-7-13(15)6-5-12(14)4/h5-7,10-11,16H,8-9H2,1-4H3
InChIKeyPGSQRTXERAAEHC-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 102986333
1-(5-fluoro-2-methylphenoxy)-3-(methylamino)propan-2-ol
CID 84746272
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine
CID 102986518
1-(5-fluoro-2-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 102981095
N-[[2-[(5-fluoro-2-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 102986350
3-(5-bromo-2-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 107285213
1-(5-bromo-2-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 107283636
1-(3,5-dimethylphenyl)-2-(5-fluoro-2-methylphenoxy)-N-methylethanamine
CID 102981071
2-(5-fluoro-2-methylphenoxy)-N-methylpropan-1-amine
CID 102986348
2-(5-fluoro-2-methylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 102981023
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanamine
CID 107524051
2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 102977758

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylphenoxy)-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(5-fluoro-2-methylphenoxy)-2-methyl-N-propan-2-ylpropan-1-amine (CID 102990248) is 3-(5-fluoro-2-methylphenoxy)-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(5-fluoro-2-methylphenoxy)-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(5-fluoro-2-methylphenoxy)-2-methyl-N-propan-2-ylpropan-1-amine is Cc1ccc(F)cc1OCC(C)CNC(C)C.
What is the InChIKey of 3-(5-fluoro-2-methylphenoxy)-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is PGSQRTXERAAEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-10(2)16-8-11(3)9-17-14-7-13(15)6-5-12(14)4/h5-7,10-11,16H,8-9H2,1-4H3.
What are the key properties of 3-(5-fluoro-2-methylphenoxy)-2-methyl-N-propan-2-ylpropan-1-amine?
3-(5-fluoro-2-methylphenoxy)-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methylphenoxy)-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 102990248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).