(E)-N-[(4-fluorophenyl)methoxy]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine

C17H22FNO — CID 146675986

IUPAC(E)-N-[(4-fluorophenyl)methoxy]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
SMILESCC12CCC(C/C1=N\OCc1ccc(F)cc1)C2(C)C
InChIInChI=1S/C17H22FNO/c1-16(2)13-8-9-17(16,3)15(10-13)19-20-11-12-4-6-14(18)7-5-12/h4-7,13H,8-11H2,1-3H3/b19-15+
InChIKeyDOJRVNPEQYTUIW-XDJHFCHBSA-N
MW275.37 g/mol
LogP4.54
Rot. Bonds3

About (E)-N-[(4-fluorophenyl)methoxy]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine

(E)-N-[(4-fluorophenyl)methoxy]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine (PubChem CID 146675986) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is (E)-N-[(4-fluorophenyl)methoxy]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine.

Molecular Properties

Compound Name(E)-N-[(4-fluorophenyl)methoxy]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
PubChem CID146675986
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name(E)-N-[(4-fluorophenyl)methoxy]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
SMILESCC12CCC(C/C1=N\OCc1ccc(F)cc1)C2(C)C
InChIInChI=1S/C17H22FNO/c1-16(2)13-8-9-17(16,3)15(10-13)19-20-11-12-4-6-14(18)7-5-12/h4-7,13H,8-11H2,1-3H3/b19-15+
InChIKeyDOJRVNPEQYTUIW-XDJHFCHBSA-N
XLogP4.54
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,7,7-trimethyl-N-(naphthalen-1-ylmethoxy)bicyclo[2.2.1]heptan-2-imine
CID 73122063
1,7,7-trimethyl-N-sulfanyloxybicyclo[2.2.1]heptan-2-imine
CID 175694316
(E)-1,7,7-trimethyl-N-prop-2-ynoxybicyclo[2.2.1]heptan-2-imine
CID 5361997
(E,1S,4S)-1,7,7-trimethyl-N-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]bicyclo[2.2.1]heptan-2-imine
CID 124885950
[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino] 2,6-difluorobenzoate
CID 23310258
[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino] 2,6-difluorobenzoate
CID 23308451
4-(propan-2-yloxymethyl)-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
CID 23328126
(1R,4R)-1,7,7-trimethyl-N-[4-[4-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]phenoxy]phenyl]bicyclo[2.2.1]heptan-2-imine
CID 90670986
[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino] benzoate
CID 4633669
(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazine
CID 7813883
N-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 45157399
(2R)-1-[4-(2-phenylethyl)piperazine-1,4-diium-1-yl]-3-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol
CID 23375786

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-fluorophenyl)methoxy]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The IUPAC name of (E)-N-[(4-fluorophenyl)methoxy]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine (CID 146675986) is (E)-N-[(4-fluorophenyl)methoxy]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine.
What is the SMILES notation for (E)-N-[(4-fluorophenyl)methoxy]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The canonical SMILES for (E)-N-[(4-fluorophenyl)methoxy]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine is CC12CCC(C/C1=N\OCc1ccc(F)cc1)C2(C)C.
What is the InChIKey of (E)-N-[(4-fluorophenyl)methoxy]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The InChIKey is DOJRVNPEQYTUIW-XDJHFCHBSA-N. The full InChI is InChI=1S/C17H22FNO/c1-16(2)13-8-9-17(16,3)15(10-13)19-20-11-12-4-6-14(18)7-5-12/h4-7,13H,8-11H2,1-3H3/b19-15+.
What are the key properties of (E)-N-[(4-fluorophenyl)methoxy]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
(E)-N-[(4-fluorophenyl)methoxy]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine has a molecular weight of 275.37 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-fluorophenyl)methoxy]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine is sourced from PubChem (CID 146675986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).