N-[2-(4-methoxyphenyl)-1-phenylethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine

C25H31NO — CID 617573

IUPACN-[2-(4-methoxyphenyl)-1-phenylethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
SMILESCOc1ccc(CC(/N=C2\CC3CCC2(C)C3(C)C)c2ccccc2)cc1
InChIInChI=1S/C25H31NO/c1-24(2)20-14-15-25(24,3)23(17-20)26-22(19-8-6-5-7-9-19)16-18-10-12-21(27-4)13-11-18/h5-13,20,22H,14-17H2,1-4H3/b26-23+
InChIKeyDQTNLUSLGYHZLZ-WNAAXNPUSA-N
MW361.53 g/mol
LogP6.27
Rot. Bonds5

About N-[2-(4-methoxyphenyl)-1-phenylethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine

N-[2-(4-methoxyphenyl)-1-phenylethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine (PubChem CID 617573) has the molecular formula C25H31NO and a molecular weight of 361.53 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-1-phenylethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-1-phenylethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
PubChem CID617573
Molecular FormulaC25H31NO
Molecular Weight361.53 g/mol
Exact Mass361.24
IUPAC NameN-[2-(4-methoxyphenyl)-1-phenylethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
SMILESCOc1ccc(CC(/N=C2\CC3CCC2(C)C3(C)C)c2ccccc2)cc1
InChIInChI=1S/C25H31NO/c1-24(2)20-14-15-25(24,3)23(17-20)26-22(19-8-6-5-7-9-19)16-18-10-12-21(27-4)13-11-18/h5-13,20,22H,14-17H2,1-4H3/b26-23+
InChIKeyDQTNLUSLGYHZLZ-WNAAXNPUSA-N
XLogP6.27
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[2-(4-methoxyphenyl)-1-phenylethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine 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-methoxyphenyl)-1-phenylethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The IUPAC name of N-[2-(4-methoxyphenyl)-1-phenylethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine (CID 617573) is N-[2-(4-methoxyphenyl)-1-phenylethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-1-phenylethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The canonical SMILES for N-[2-(4-methoxyphenyl)-1-phenylethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine is COc1ccc(CC(/N=C2\CC3CCC2(C)C3(C)C)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-1-phenylethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The InChIKey is DQTNLUSLGYHZLZ-WNAAXNPUSA-N. The full InChI is InChI=1S/C25H31NO/c1-24(2)20-14-15-25(24,3)23(17-20)26-22(19-8-6-5-7-9-19)16-18-10-12-21(27-4)13-11-18/h5-13,20,22H,14-17H2,1-4H3/b26-23+.
What are the key properties of N-[2-(4-methoxyphenyl)-1-phenylethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
N-[2-(4-methoxyphenyl)-1-phenylethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine has a molecular weight of 361.53 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-1-phenylethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine is sourced from PubChem (CID 617573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).