[(1R,4R)-7,7-dimethyl-2-[(1R)-1-phenylethyl]imino-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol

C30H33NO — CID 101415698

IUPAC[(1R,4R)-7,7-dimethyl-2-[(1R)-1-phenylethyl]imino-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol
SMILESC[C@@H](/N=C1\C[C@H]2CC[C@@]1(C(O)(c1ccccc1)c1ccccc1)C2(C)C)c1ccccc1
InChIInChI=1S/C30H33NO/c1-22(23-13-7-4-8-14-23)31-27-21-26-19-20-29(27,28(26,2)3)30(32,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,22,26,32H,19-21H2,1-3H3/b31-27+/t22-,26-,29+/m1/s1
InChIKeyHLYJWDKIMBGTDR-OUAWBXPZSA-N
MW423.60 g/mol
LogP6.95
Rot. Bonds5

About [(1R,4R)-7,7-dimethyl-2-[(1R)-1-phenylethyl]imino-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol

[(1R,4R)-7,7-dimethyl-2-[(1R)-1-phenylethyl]imino-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol (PubChem CID 101415698) has the molecular formula C30H33NO and a molecular weight of 423.60 g/mol. Its IUPAC name is [(1R,4R)-7,7-dimethyl-2-[(1R)-1-phenylethyl]imino-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol.

Molecular Properties

Compound Name[(1R,4R)-7,7-dimethyl-2-[(1R)-1-phenylethyl]imino-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol
PubChem CID101415698
Molecular FormulaC30H33NO
Molecular Weight423.60 g/mol
Exact Mass423.26
IUPAC Name[(1R,4R)-7,7-dimethyl-2-[(1R)-1-phenylethyl]imino-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol
SMILESC[C@@H](/N=C1\C[C@H]2CC[C@@]1(C(O)(c1ccccc1)c1ccccc1)C2(C)C)c1ccccc1
InChIInChI=1S/C30H33NO/c1-22(23-13-7-4-8-14-23)31-27-21-26-19-20-29(27,28(26,2)3)30(32,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,22,26,32H,19-21H2,1-3H3/b31-27+/t22-,26-,29+/m1/s1
InChIKeyHLYJWDKIMBGTDR-OUAWBXPZSA-N
XLogP6.95
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.60
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1R,4R)-7,7-dimethyl-2-[(1R)-1-phenylethyl]imino-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol with MolForge

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Launch Full Analysis

Related Compounds

1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol
CID 23992385
[(1S,4R)-2-benzylimino-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanol
CID 10244209
2-[[(1R)-1-phenylethyl]iminomethyl]-6-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
CID 135908468
[(1R,2S,4S)-1-[hydroxy(diphenyl)methyl]-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] 2-oxopropanoate
CID 100992403
4-[[(1R)-1-phenylethyl]iminomethyl]-2,6-bis[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
CID 137175881
(2R)-4-[(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methylsulfanyl]-4-phenylbutan-2-ol
CID 139704143
1-[(1S)-1-methyl-2-[(1R)-1-phenylethyl]iminocyclohexyl]pentan-3-one
CID 10902635
4-tert-butyl-N-(1-phenylethyl)cyclohexan-1-imine
CID 14609244
trans-(2R,6R)-2,6-dimethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-imine
CID 102093030
[1-[hydroxy(diphenyl)methyl]-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] prop-2-enoate
CID 135079921
N-[(Z)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
CID 7129928
N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
CID 23350614

Frequently Asked Questions

What is the IUPAC name of [(1R,4R)-7,7-dimethyl-2-[(1R)-1-phenylethyl]imino-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol?
The IUPAC name of [(1R,4R)-7,7-dimethyl-2-[(1R)-1-phenylethyl]imino-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol (CID 101415698) is [(1R,4R)-7,7-dimethyl-2-[(1R)-1-phenylethyl]imino-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol.
What is the SMILES notation for [(1R,4R)-7,7-dimethyl-2-[(1R)-1-phenylethyl]imino-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol?
The canonical SMILES for [(1R,4R)-7,7-dimethyl-2-[(1R)-1-phenylethyl]imino-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol is C[C@@H](/N=C1\C[C@H]2CC[C@@]1(C(O)(c1ccccc1)c1ccccc1)C2(C)C)c1ccccc1.
What is the InChIKey of [(1R,4R)-7,7-dimethyl-2-[(1R)-1-phenylethyl]imino-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol?
The InChIKey is HLYJWDKIMBGTDR-OUAWBXPZSA-N. The full InChI is InChI=1S/C30H33NO/c1-22(23-13-7-4-8-14-23)31-27-21-26-19-20-29(27,28(26,2)3)30(32,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,22,26,32H,19-21H2,1-3H3/b31-27+/t22-,26-,29+/m1/s1.
What are the key properties of [(1R,4R)-7,7-dimethyl-2-[(1R)-1-phenylethyl]imino-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol?
[(1R,4R)-7,7-dimethyl-2-[(1R)-1-phenylethyl]imino-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol has a molecular weight of 423.60 g/mol, XLogP of 6.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4R)-7,7-dimethyl-2-[(1R)-1-phenylethyl]imino-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol is sourced from PubChem (CID 101415698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).