2-(4-fluorocyclohexyl)-2-methylpropan-1-amine

C10H20FN — CID 163897130

IUPAC2-(4-fluorocyclohexyl)-2-methylpropan-1-amine
SMILESCC(C)(CN)C1CCC(F)CC1
InChIInChI=1S/C10H20FN/c1-10(2,7-12)8-3-5-9(11)6-4-8/h8-9H,3-7,12H2,1-2H3
InChIKeyQGQDZWFFHBEJDB-UHFFFAOYSA-N
MW173.28 g/mol
LogP2.50
Rot. Bonds2

About 2-(4-fluorocyclohexyl)-2-methylpropan-1-amine

2-(4-fluorocyclohexyl)-2-methylpropan-1-amine (PubChem CID 163897130) has the molecular formula C10H20FN and a molecular weight of 173.28 g/mol. Its IUPAC name is 2-(4-fluorocyclohexyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-fluorocyclohexyl)-2-methylpropan-1-amine
PubChem CID163897130
Molecular FormulaC10H20FN
Molecular Weight173.28 g/mol
Exact Mass173.16
IUPAC Name2-(4-fluorocyclohexyl)-2-methylpropan-1-amine
SMILESCC(C)(CN)C1CCC(F)CC1
InChIInChI=1S/C10H20FN/c1-10(2,7-12)8-3-5-9(11)6-4-8/h8-9H,3-7,12H2,1-2H3
InChIKeyQGQDZWFFHBEJDB-UHFFFAOYSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohexyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(4-fluorocyclohexyl)-2-methylpropan-1-amine (CID 163897130) is 2-(4-fluorocyclohexyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(4-fluorocyclohexyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(4-fluorocyclohexyl)-2-methylpropan-1-amine is CC(C)(CN)C1CCC(F)CC1.
What is the InChIKey of 2-(4-fluorocyclohexyl)-2-methylpropan-1-amine?
The InChIKey is QGQDZWFFHBEJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-10(2,7-12)8-3-5-9(11)6-4-8/h8-9H,3-7,12H2,1-2H3.
What are the key properties of 2-(4-fluorocyclohexyl)-2-methylpropan-1-amine?
2-(4-fluorocyclohexyl)-2-methylpropan-1-amine has a molecular weight of 173.28 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohexyl)-2-methylpropan-1-amine is sourced from PubChem (CID 163897130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).