4-[4-[1-adamantyl(phenyl)methyl]phenyl]morpholine

C27H33NO — CID 70691984

IUPAC4-[4-[1-adamantyl(phenyl)methyl]phenyl]morpholine
SMILESc1ccc(C(c2ccc(N3CCOCC3)cc2)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C27H33NO/c1-2-4-23(5-3-1)26(27-17-20-14-21(18-27)16-22(15-20)19-27)24-6-8-25(9-7-24)28-10-12-29-13-11-28/h1-9,20-22,26H,10-19H2
InChIKeyKBPHQNDPEWHCHW-UHFFFAOYSA-N
MW387.57 g/mol
LogP5.87
Rot. Bonds4

About 4-[4-[1-adamantyl(phenyl)methyl]phenyl]morpholine

4-[4-[1-adamantyl(phenyl)methyl]phenyl]morpholine (PubChem CID 70691984) has the molecular formula C27H33NO and a molecular weight of 387.57 g/mol. Its IUPAC name is 4-[4-[1-adamantyl(phenyl)methyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[1-adamantyl(phenyl)methyl]phenyl]morpholine
PubChem CID70691984
Molecular FormulaC27H33NO
Molecular Weight387.57 g/mol
Exact Mass387.26
IUPAC Name4-[4-[1-adamantyl(phenyl)methyl]phenyl]morpholine
SMILESc1ccc(C(c2ccc(N3CCOCC3)cc2)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C27H33NO/c1-2-4-23(5-3-1)26(27-17-20-14-21(18-27)16-22(15-20)19-27)24-6-8-25(9-7-24)28-10-12-29-13-11-28/h1-9,20-22,26H,10-19H2
InChIKeyKBPHQNDPEWHCHW-UHFFFAOYSA-N
XLogP5.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.57
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-[1-adamantyl(phenyl)methyl]phenyl]morpholine with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-[1-Adamantyl(phenyl)methyl]phenyl]-4-cyclohexylpiperazine
CID 70696149
3-[4-(4-Morpholinyl)phenyl]-2-phenylacrylonitrile
CID 892247
1-[4-[1-Adamantyl(phenyl)methyl]phenyl]-4-methylpiperazine
CID 25005670
1-[4-[1-Adamantyl(phenyl)methyl]phenyl]-4-ethylpiperazine
CID 25006786
1-[4-[1-Adamantyl(phenyl)methyl]phenyl]-4-benzylpiperazine
CID 70681422
1-[4-[1-Adamantyl(phenyl)methyl]phenyl]piperazine
CID 70683538
4-[4-(1-Propylpiperidin-4-yl)phenyl]morpholine
CID 57387304
N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethoxyethyl)aniline
CID 166629061
Morpholine, 4-[1,1'-biphenyl]-4-yl-
CID 10911629
4-(2,3,5,6-Tetrafluoro-4-biphenylyl)morpholine
CID 872458
1-[4-(1-Adamantyl)phenyl]pyrrolidine
CID 12510316
N,N-dimethyl-4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)aniline
CID 44383834

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-adamantyl(phenyl)methyl]phenyl]morpholine?
The IUPAC name of 4-[4-[1-adamantyl(phenyl)methyl]phenyl]morpholine (CID 70691984) is 4-[4-[1-adamantyl(phenyl)methyl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[1-adamantyl(phenyl)methyl]phenyl]morpholine?
The canonical SMILES for 4-[4-[1-adamantyl(phenyl)methyl]phenyl]morpholine is c1ccc(C(c2ccc(N3CCOCC3)cc2)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 4-[4-[1-adamantyl(phenyl)methyl]phenyl]morpholine?
The InChIKey is KBPHQNDPEWHCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO/c1-2-4-23(5-3-1)26(27-17-20-14-21(18-27)16-22(15-20)19-27)24-6-8-25(9-7-24)28-10-12-29-13-11-28/h1-9,20-22,26H,10-19H2.
What are the key properties of 4-[4-[1-adamantyl(phenyl)methyl]phenyl]morpholine?
4-[4-[1-adamantyl(phenyl)methyl]phenyl]morpholine has a molecular weight of 387.57 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-adamantyl(phenyl)methyl]phenyl]morpholine is sourced from PubChem (CID 70691984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).