3-(fluoromethyl)-5-methyladamantan-1-amine

C12H20FN — CID 15266270

IUPAC3-(fluoromethyl)-5-methyladamantan-1-amine
SMILESCC12CC3CC(N)(C1)CC(CF)(C3)C2
InChIInChI=1S/C12H20FN/c1-10-2-9-3-11(5-10,8-13)7-12(14,4-9)6-10/h9H,2-8,14H2,1H3
InChIKeyJVAGSWCGOMXYJB-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.64
Rot. Bonds1

About 3-(fluoromethyl)-5-methyladamantan-1-amine

3-(fluoromethyl)-5-methyladamantan-1-amine (PubChem CID 15266270) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is 3-(fluoromethyl)-5-methyladamantan-1-amine.

Molecular Properties

Compound Name3-(fluoromethyl)-5-methyladamantan-1-amine
PubChem CID15266270
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name3-(fluoromethyl)-5-methyladamantan-1-amine
SMILESCC12CC3CC(N)(C1)CC(CF)(C3)C2
InChIInChI=1S/C12H20FN/c1-10-2-9-3-11(5-10,8-13)7-12(14,4-9)6-10/h9H,2-8,14H2,1H3
InChIKeyJVAGSWCGOMXYJB-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Memantine
CID 4054
Amantadine
CID 2130
Amantadine Hydrochloride
CID 64150
Memantine Hydrochloride
CID 181458
(3R,5S)-3,5-dimethyl-1-adamantanamine
CID 1263681
(1r,3R,5S,7r)-3,5-dimethyladamantan-1-amine hydrochloride
CID 11229655
2-(1-Adamantyl)propan-2-amine
CID 3010140
Somantadine
CID 50234
1-Amino-3-ethyladamantane
CID 64352
1-Aminoadamantane,3,5-diethyl
CID 10013264
3-(1-Adamantyl)pentan-3-amine
CID 84088234
4-(1-Adamantyl)heptan-4-amine
CID 90318428

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-5-methyladamantan-1-amine?
The IUPAC name of 3-(fluoromethyl)-5-methyladamantan-1-amine (CID 15266270) is 3-(fluoromethyl)-5-methyladamantan-1-amine.
What is the SMILES notation for 3-(fluoromethyl)-5-methyladamantan-1-amine?
The canonical SMILES for 3-(fluoromethyl)-5-methyladamantan-1-amine is CC12CC3CC(N)(C1)CC(CF)(C3)C2.
What is the InChIKey of 3-(fluoromethyl)-5-methyladamantan-1-amine?
The InChIKey is JVAGSWCGOMXYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN/c1-10-2-9-3-11(5-10,8-13)7-12(14,4-9)6-10/h9H,2-8,14H2,1H3.
What are the key properties of 3-(fluoromethyl)-5-methyladamantan-1-amine?
3-(fluoromethyl)-5-methyladamantan-1-amine has a molecular weight of 197.30 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-5-methyladamantan-1-amine is sourced from PubChem (CID 15266270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).