ethyl 7-[(4-fluorophenyl)methylamino]tricyclo[3.2.1.02,4]octane-6-carboxylate

C18H22FNO2 — CID 58000282

IUPACethyl 7-[(4-fluorophenyl)methylamino]tricyclo[3.2.1.02,4]octane-6-carboxylate
SMILESCCOC(=O)C1C2CC(C3CC32)C1NCc1ccc(F)cc1
InChIInChI=1S/C18H22FNO2/c1-2-22-18(21)16-14-8-15(13-7-12(13)14)17(16)20-9-10-3-5-11(19)6-4-10/h3-6,12-17,20H,2,7-9H2,1H3
InChIKeyQHXKFXJPYYUONC-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.75
Rot. Bonds5

About ethyl 7-[(4-fluorophenyl)methylamino]tricyclo[3.2.1.02,4]octane-6-carboxylate

ethyl 7-[(4-fluorophenyl)methylamino]tricyclo[3.2.1.02,4]octane-6-carboxylate (PubChem CID 58000282) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is ethyl 7-[(4-fluorophenyl)methylamino]tricyclo[3.2.1.02,4]octane-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-[(4-fluorophenyl)methylamino]tricyclo[3.2.1.02,4]octane-6-carboxylate
PubChem CID58000282
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Nameethyl 7-[(4-fluorophenyl)methylamino]tricyclo[3.2.1.02,4]octane-6-carboxylate
SMILESCCOC(=O)C1C2CC(C3CC32)C1NCc1ccc(F)cc1
InChIInChI=1S/C18H22FNO2/c1-2-22-18(21)16-14-8-15(13-7-12(13)14)17(16)20-9-10-3-5-11(19)6-4-10/h3-6,12-17,20H,2,7-9H2,1H3
InChIKeyQHXKFXJPYYUONC-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 7-[(4-fluorophenyl)methylamino]tricyclo[3.2.1.02,4]octane-6-carboxylate with MolForge

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Related Compounds

ethyl (1R,4S)-3-[(4-fluorophenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylate
CID 58000158
Methyl 7-[(4-fluorophenyl)methylamino]bicyclo[3.2.2]nonane-6-carboxylate
CID 58000256
methyl (1R,4S)-3-[(4-fluoro-3-methylphenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylate
CID 58339451
Methyl 3-[(4-fluorophenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylate
CID 58339484
Methyl 7-[(4-fluorophenyl)methylamino]tricyclo[3.2.2.02,4]nonane-6-carboxylate
CID 58339500
Ethyl 3-[(4-fluorophenyl)methylamino]bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 58339503
methyl (2S,3R)-3-[(4-fluorophenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylate
CID 58339513
ethyl (1R,4S)-3-[(3-chloro-4-fluorophenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylate
CID 58339514
methyl (1R,2S,3R,4S)-3-[(4-fluorobenzyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 58339516
methyl (6S,7R)-7-[(4-fluorobenzyl)amino]tricyclo[3.2.2.02,4]nonane-6-carboxylate
CID 58339517
(2R,3S)-3-(4-fluoro-benzylamino)-bicyclo[2,2,2]octane-2-carboxylic acid methyl ester
CID 58339529
Methyl 3-[(4-fluorophenyl)methylamino]bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 58339534

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(4-fluorophenyl)methylamino]tricyclo[3.2.1.02,4]octane-6-carboxylate?
The IUPAC name of ethyl 7-[(4-fluorophenyl)methylamino]tricyclo[3.2.1.02,4]octane-6-carboxylate (CID 58000282) is ethyl 7-[(4-fluorophenyl)methylamino]tricyclo[3.2.1.02,4]octane-6-carboxylate.
What is the SMILES notation for ethyl 7-[(4-fluorophenyl)methylamino]tricyclo[3.2.1.02,4]octane-6-carboxylate?
The canonical SMILES for ethyl 7-[(4-fluorophenyl)methylamino]tricyclo[3.2.1.02,4]octane-6-carboxylate is CCOC(=O)C1C2CC(C3CC32)C1NCc1ccc(F)cc1.
What is the InChIKey of ethyl 7-[(4-fluorophenyl)methylamino]tricyclo[3.2.1.02,4]octane-6-carboxylate?
The InChIKey is QHXKFXJPYYUONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-2-22-18(21)16-14-8-15(13-7-12(13)14)17(16)20-9-10-3-5-11(19)6-4-10/h3-6,12-17,20H,2,7-9H2,1H3.
What are the key properties of ethyl 7-[(4-fluorophenyl)methylamino]tricyclo[3.2.1.02,4]octane-6-carboxylate?
ethyl 7-[(4-fluorophenyl)methylamino]tricyclo[3.2.1.02,4]octane-6-carboxylate has a molecular weight of 303.38 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(4-fluorophenyl)methylamino]tricyclo[3.2.1.02,4]octane-6-carboxylate is sourced from PubChem (CID 58000282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).