N-[[2-[(4-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine

C18H26FN — CID 63521648

IUPACN-[[2-[(4-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2ccc(F)cc2)CC2CCC1C2
InChIInChI=1S/C18H26FN/c1-13(2)20-12-18(11-15-3-6-16(18)9-15)10-14-4-7-17(19)8-5-14/h4-5,7-8,13,15-16,20H,3,6,9-12H2,1-2H3
InChIKeyCQLBZVCWRKWXSV-UHFFFAOYSA-N
MW275.41 g/mol
LogP4.17
Rot. Bonds5

About N-[[2-[(4-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine

N-[[2-[(4-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine (PubChem CID 63521648) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
PubChem CID63521648
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC NameN-[[2-[(4-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2ccc(F)cc2)CC2CCC1C2
InChIInChI=1S/C18H26FN/c1-13(2)20-12-18(11-15-3-6-16(18)9-15)10-14-4-7-17(19)8-5-14/h4-5,7-8,13,15-16,20H,3,6,9-12H2,1-2H3
InChIKeyCQLBZVCWRKWXSV-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-[(4-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine 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 N-[[2-[(4-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(4-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine (CID 63521648) is N-[[2-[(4-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine is CC(C)NCC1(Cc2ccc(F)cc2)CC2CCC1C2.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The InChIKey is CQLBZVCWRKWXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN/c1-13(2)20-12-18(11-15-3-6-16(18)9-15)10-14-4-7-17(19)8-5-14/h4-5,7-8,13,15-16,20H,3,6,9-12H2,1-2H3.
What are the key properties of N-[[2-[(4-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
N-[[2-[(4-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine has a molecular weight of 275.41 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine is sourced from PubChem (CID 63521648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).