2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]phenol

C17H23NO — CID 137047925

IUPAC2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]phenol
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@H](/N=C/c1ccccc1O)C2
InChIInChI=1S/C17H23NO/c1-16(2)13-8-9-17(16,3)15(10-13)18-11-12-6-4-5-7-14(12)19/h4-7,11,13,15,19H,8-10H2,1-3H3/b18-11+/t13-,15+,17-/m0/s1
InChIKeyXXVXTTBSTRXFHW-ARNIERPISA-N
MW257.38 g/mol
LogP4.03
Rot. Bonds2

About 2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]phenol

2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]phenol (PubChem CID 137047925) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]phenol
PubChem CID137047925
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]phenol
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@H](/N=C/c1ccccc1O)C2
InChIInChI=1S/C17H23NO/c1-16(2)13-8-9-17(16,3)15(10-13)18-11-12-6-4-5-7-14(12)19/h4-7,11,13,15,19H,8-10H2,1-3H3/b18-11+/t13-,15+,17-/m0/s1
InChIKeyXXVXTTBSTRXFHW-ARNIERPISA-N
XLogP4.03
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]phenol with MolForge

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Related Compounds

2-[[(1R,3R)-3-[(2-hydroxyphenyl)methylideneamino]-2,2,3-trimethylcyclopentyl]iminomethyl]phenol
CID 135544426
2-[[(1S,3S)-3-(dimethylamino)-2,2,3-trimethylcyclopentyl]iminomethyl]phenol
CID 137098911
6-hydroxy-1,3-dimethyl-5-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]pyrimidine-2,4-dione
CID 135883184
6-hydroxy-1,3-dimethyl-5-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]pyrimidine-2,4-dione
CID 136882512
2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
CID 135987838
1-(4-chlorophenyl)-6-hydroxy-5-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]pyrimidine-2,4-dione
CID 136719796
2-[[(5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]iminomethyl]phenol
CID 162906862
2-[[(1R)-1-phenylethyl]iminomethyl]-6-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
CID 135908468
2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine
CID 130854529
1-(2-iodophenyl)-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine
CID 14771727
copper;bis(2-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)iminomethyl]phenol)
CID 5127710
diphenyl-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane
CID 46184297

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]phenol?
The IUPAC name of 2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]phenol (CID 137047925) is 2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]phenol?
The canonical SMILES for 2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]phenol is CC1(C)[C@H]2CC[C@@]1(C)[C@H](/N=C/c1ccccc1O)C2.
What is the InChIKey of 2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]phenol?
The InChIKey is XXVXTTBSTRXFHW-ARNIERPISA-N. The full InChI is InChI=1S/C17H23NO/c1-16(2)13-8-9-17(16,3)15(10-13)18-11-12-6-4-5-7-14(12)19/h4-7,11,13,15,19H,8-10H2,1-3H3/b18-11+/t13-,15+,17-/m0/s1.
What are the key properties of 2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]phenol?
2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]phenol has a molecular weight of 257.38 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]phenol is sourced from PubChem (CID 137047925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).