1-(4-fluoro-2-methylphenyl)-4-methoxy-4-methylpentan-2-amine

C14H22FNO — CID 103029469

IUPAC1-(4-fluoro-2-methylphenyl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(N)Cc1ccc(F)cc1C
InChIInChI=1S/C14H22FNO/c1-10-7-12(15)6-5-11(10)8-13(16)9-14(2,3)17-4/h5-7,13H,8-9,16H2,1-4H3
InChIKeyCJGJMHUZLLESJZ-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.82
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-4-methoxy-4-methylpentan-2-amine

1-(4-fluoro-2-methylphenyl)-4-methoxy-4-methylpentan-2-amine (PubChem CID 103029469) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-4-methoxy-4-methylpentan-2-amine
PubChem CID103029469
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-(4-fluoro-2-methylphenyl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(N)Cc1ccc(F)cc1C
InChIInChI=1S/C14H22FNO/c1-10-7-12(15)6-5-11(10)8-13(16)9-14(2,3)17-4/h5-7,13H,8-9,16H2,1-4H3
InChIKeyCJGJMHUZLLESJZ-UHFFFAOYSA-N
XLogP2.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-methoxy-4-methylpentan-2-amine (CID 103029469) is 1-(4-fluoro-2-methylphenyl)-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-4-methoxy-4-methylpentan-2-amine is COC(C)(C)CC(N)Cc1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-4-methoxy-4-methylpentan-2-amine?
The InChIKey is CJGJMHUZLLESJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-10-7-12(15)6-5-11(10)8-13(16)9-14(2,3)17-4/h5-7,13H,8-9,16H2,1-4H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-4-methoxy-4-methylpentan-2-amine?
1-(4-fluoro-2-methylphenyl)-4-methoxy-4-methylpentan-2-amine has a molecular weight of 239.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 103029469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).