(3-fluoro-1-adamantyl)methanamine;hydrochloride

C11H19ClFN — CID 176689228

IUPAC(3-fluoro-1-adamantyl)methanamine;hydrochloride
SMILESCl.NCC12CC3CC(CC(F)(C3)C1)C2
InChIInChI=1S/C11H18FN.ClH/c12-11-4-8-1-9(5-11)3-10(2-8,6-11)7-13;/h8-9H,1-7,13H2;1H
InChIKeyPXPLOTIAMGJKEE-UHFFFAOYSA-N
MW219.73 g/mol
LogP2.68
Rot. Bonds1

About (3-fluoro-1-adamantyl)methanamine;hydrochloride

(3-fluoro-1-adamantyl)methanamine;hydrochloride (PubChem CID 176689228) has the molecular formula C11H19ClFN and a molecular weight of 219.73 g/mol. Its IUPAC name is (3-fluoro-1-adamantyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-fluoro-1-adamantyl)methanamine;hydrochloride
PubChem CID176689228
Molecular FormulaC11H19ClFN
Molecular Weight219.73 g/mol
Exact Mass219.12
IUPAC Name(3-fluoro-1-adamantyl)methanamine;hydrochloride
SMILESCl.NCC12CC3CC(CC(F)(C3)C1)C2
InChIInChI=1S/C11H18FN.ClH/c12-11-4-8-1-9(5-11)3-10(2-8,6-11)7-13;/h8-9H,1-7,13H2;1H
InChIKeyPXPLOTIAMGJKEE-UHFFFAOYSA-N
XLogP2.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.73
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-1-adamantyl)methanamine;hydrochloride?
The IUPAC name of (3-fluoro-1-adamantyl)methanamine;hydrochloride (CID 176689228) is (3-fluoro-1-adamantyl)methanamine;hydrochloride.
What is the SMILES notation for (3-fluoro-1-adamantyl)methanamine;hydrochloride?
The canonical SMILES for (3-fluoro-1-adamantyl)methanamine;hydrochloride is Cl.NCC12CC3CC(CC(F)(C3)C1)C2.
What is the InChIKey of (3-fluoro-1-adamantyl)methanamine;hydrochloride?
The InChIKey is PXPLOTIAMGJKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN.ClH/c12-11-4-8-1-9(5-11)3-10(2-8,6-11)7-13;/h8-9H,1-7,13H2;1H.
What are the key properties of (3-fluoro-1-adamantyl)methanamine;hydrochloride?
(3-fluoro-1-adamantyl)methanamine;hydrochloride has a molecular weight of 219.73 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-1-adamantyl)methanamine;hydrochloride is sourced from PubChem (CID 176689228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).