1-[(4-fluorophenyl)methylamino]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol

C16H22FNO — CID 118200051

IUPAC1-[(4-fluorophenyl)methylamino]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(NCc1ccc(F)cc1)C(O)C2
InChIInChI=1S/C16H22FNO/c1-15(2)12-7-8-16(15,14(19)9-12)18-10-11-3-5-13(17)6-4-11/h3-6,12,14,18-19H,7-10H2,1-2H3
InChIKeyADQIPLBFPFJOGK-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.85
Rot. Bonds3

About 1-[(4-fluorophenyl)methylamino]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol

1-[(4-fluorophenyl)methylamino]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 118200051) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methylamino]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methylamino]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID118200051
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name1-[(4-fluorophenyl)methylamino]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(NCc1ccc(F)cc1)C(O)C2
InChIInChI=1S/C16H22FNO/c1-15(2)12-7-8-16(15,14(19)9-12)18-10-11-3-5-13(17)6-4-11/h3-6,12,14,18-19H,7-10H2,1-2H3
InChIKeyADQIPLBFPFJOGK-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(4-fluorophenyl)methylamino]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methylamino]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 1-[(4-fluorophenyl)methylamino]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol (CID 118200051) is 1-[(4-fluorophenyl)methylamino]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methylamino]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methylamino]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol is CC1(C)C2CCC1(NCc1ccc(F)cc1)C(O)C2.
What is the InChIKey of 1-[(4-fluorophenyl)methylamino]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is ADQIPLBFPFJOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-15(2)12-7-8-16(15,14(19)9-12)18-10-11-3-5-13(17)6-4-11/h3-6,12,14,18-19H,7-10H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methylamino]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
1-[(4-fluorophenyl)methylamino]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 263.36 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methylamino]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 118200051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).