N-[1-(2-fluorophenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine

C14H22FNO — CID 114830797

IUPACN-[1-(2-fluorophenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNC(C)Cc1ccccc1F
InChIInChI=1S/C14H22FNO/c1-11(16-10-14(2,3)17-4)9-12-7-5-6-8-13(12)15/h5-8,11,16H,9-10H2,1-4H3
InChIKeyUYKLRWRAUJXVFA-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.77
Rot. Bonds6

About N-[1-(2-fluorophenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine

N-[1-(2-fluorophenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine (PubChem CID 114830797) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine
PubChem CID114830797
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-[1-(2-fluorophenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNC(C)Cc1ccccc1F
InChIInChI=1S/C14H22FNO/c1-11(16-10-14(2,3)17-4)9-12-7-5-6-8-13(12)15/h5-8,11,16H,9-10H2,1-4H3
InChIKeyUYKLRWRAUJXVFA-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-fluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024868
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1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine
CID 114827813
1-[1-(2-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol
CID 102612767
[1-(2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245348
N-[1-(2-fluorophenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine
CID 114828923
1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine
CID 114829606
4-methoxy-N-(2-methoxy-2-methylpropyl)-4-methylpentan-2-amine
CID 115728657
3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile
CID 115591783
1-(2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-2-amine
CID 114830149
2-tert-butyl-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828604
1-(2-fluorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine
CID 114830845

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine (CID 114830797) is N-[1-(2-fluorophenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine is COC(C)(C)CNC(C)Cc1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine?
The InChIKey is UYKLRWRAUJXVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-11(16-10-14(2,3)17-4)9-12-7-5-6-8-13(12)15/h5-8,11,16H,9-10H2,1-4H3.
What are the key properties of N-[1-(2-fluorophenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine?
N-[1-(2-fluorophenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 114830797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).