1-adamantyl-(4-fluoro-2-methylphenyl)methanamine

C18H24FN — CID 63416233

IUPAC1-adamantyl-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24FN/c1-11-4-15(19)2-3-16(11)17(20)18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,12-14,17H,5-10,20H2,1H3
InChIKeyQLOTWGZZPBBSHS-UHFFFAOYSA-N
MW273.39 g/mol
LogP4.35
Rot. Bonds2

About 1-adamantyl-(4-fluoro-2-methylphenyl)methanamine

1-adamantyl-(4-fluoro-2-methylphenyl)methanamine (PubChem CID 63416233) has the molecular formula C18H24FN and a molecular weight of 273.39 g/mol. Its IUPAC name is 1-adamantyl-(4-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name1-adamantyl-(4-fluoro-2-methylphenyl)methanamine
PubChem CID63416233
Molecular FormulaC18H24FN
Molecular Weight273.39 g/mol
Exact Mass273.19
IUPAC Name1-adamantyl-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24FN/c1-11-4-15(19)2-3-16(11)17(20)18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,12-14,17H,5-10,20H2,1H3
InChIKeyQLOTWGZZPBBSHS-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(4-fluoro-2-methylphenyl)methanamine?
The IUPAC name of 1-adamantyl-(4-fluoro-2-methylphenyl)methanamine (CID 63416233) is 1-adamantyl-(4-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for 1-adamantyl-(4-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for 1-adamantyl-(4-fluoro-2-methylphenyl)methanamine is Cc1cc(F)ccc1C(N)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-(4-fluoro-2-methylphenyl)methanamine?
The InChIKey is QLOTWGZZPBBSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN/c1-11-4-15(19)2-3-16(11)17(20)18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,12-14,17H,5-10,20H2,1H3.
What are the key properties of 1-adamantyl-(4-fluoro-2-methylphenyl)methanamine?
1-adamantyl-(4-fluoro-2-methylphenyl)methanamine has a molecular weight of 273.39 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(4-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 63416233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).