4-[[4-(trifluoromethyl)phenyl]methylamino]adamantan-1-ol

C18H22F3NO — CID 67260202

IUPAC4-[[4-(trifluoromethyl)phenyl]methylamino]adamantan-1-ol
SMILESOC12CC3CC(C1)C(NCc1ccc(C(F)(F)F)cc1)C(C3)C2
InChIInChI=1S/C18H22F3NO/c19-18(20,21)15-3-1-11(2-4-15)10-22-16-13-5-12-6-14(16)9-17(23,7-12)8-13/h1-4,12-14,16,22-23H,5-10H2
InChIKeyUHZWMVSQUWWMSL-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.73
Rot. Bonds3

About 4-[[4-(trifluoromethyl)phenyl]methylamino]adamantan-1-ol

4-[[4-(trifluoromethyl)phenyl]methylamino]adamantan-1-ol (PubChem CID 67260202) has the molecular formula C18H22F3NO and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)phenyl]methylamino]adamantan-1-ol.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)phenyl]methylamino]adamantan-1-ol
PubChem CID67260202
Molecular FormulaC18H22F3NO
Molecular Weight325.37 g/mol
Exact Mass325.17
IUPAC Name4-[[4-(trifluoromethyl)phenyl]methylamino]adamantan-1-ol
SMILESOC12CC3CC(C1)C(NCc1ccc(C(F)(F)F)cc1)C(C3)C2
InChIInChI=1S/C18H22F3NO/c19-18(20,21)15-3-1-11(2-4-15)10-22-16-13-5-12-6-14(16)9-17(23,7-12)8-13/h1-4,12-14,16,22-23H,5-10H2
InChIKeyUHZWMVSQUWWMSL-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)phenyl]methylamino]adamantan-1-ol?
The IUPAC name of 4-[[4-(trifluoromethyl)phenyl]methylamino]adamantan-1-ol (CID 67260202) is 4-[[4-(trifluoromethyl)phenyl]methylamino]adamantan-1-ol.
What is the SMILES notation for 4-[[4-(trifluoromethyl)phenyl]methylamino]adamantan-1-ol?
The canonical SMILES for 4-[[4-(trifluoromethyl)phenyl]methylamino]adamantan-1-ol is OC12CC3CC(C1)C(NCc1ccc(C(F)(F)F)cc1)C(C3)C2.
What is the InChIKey of 4-[[4-(trifluoromethyl)phenyl]methylamino]adamantan-1-ol?
The InChIKey is UHZWMVSQUWWMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3NO/c19-18(20,21)15-3-1-11(2-4-15)10-22-16-13-5-12-6-14(16)9-17(23,7-12)8-13/h1-4,12-14,16,22-23H,5-10H2.
What are the key properties of 4-[[4-(trifluoromethyl)phenyl]methylamino]adamantan-1-ol?
4-[[4-(trifluoromethyl)phenyl]methylamino]adamantan-1-ol has a molecular weight of 325.37 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)phenyl]methylamino]adamantan-1-ol is sourced from PubChem (CID 67260202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).