1-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpropan-2-amine

C14H20FN — CID 83910622

IUPAC1-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)CC1CCCc2c(F)cccc21
InChIInChI=1S/C14H20FN/c1-14(2,16)9-10-5-3-7-12-11(10)6-4-8-13(12)15/h4,6,8,10H,3,5,7,9,16H2,1-2H3
InChIKeyRIFFEBIAPRVVJA-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.37
Rot. Bonds2

About 1-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpropan-2-amine

1-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpropan-2-amine (PubChem CID 83910622) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpropan-2-amine
PubChem CID83910622
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name1-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)CC1CCCc2c(F)cccc21
InChIInChI=1S/C14H20FN/c1-14(2,16)9-10-5-3-7-12-11(10)6-4-8-13(12)15/h4,6,8,10H,3,5,7,9,16H2,1-2H3
InChIKeyRIFFEBIAPRVVJA-UHFFFAOYSA-N
XLogP3.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpropan-2-amine (CID 83910622) is 1-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpropan-2-amine is CC(C)(N)CC1CCCc2c(F)cccc21.
What is the InChIKey of 1-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpropan-2-amine?
The InChIKey is RIFFEBIAPRVVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-14(2,16)9-10-5-3-7-12-11(10)6-4-8-13(12)15/h4,6,8,10H,3,5,7,9,16H2,1-2H3.
What are the key properties of 1-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpropan-2-amine?
1-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpropan-2-amine has a molecular weight of 221.32 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 83910622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).