methyl (2R,4R)-4-[(4-fluorophenyl)methylamino]-2-methyltricyclo[3.2.1.11,5]nonane-2-carboxylate

C19H24FNO2 — CID 163974092

IUPACmethyl (2R,4R)-4-[(4-fluorophenyl)methylamino]-2-methyltricyclo[3.2.1.11,5]nonane-2-carboxylate
SMILESCOC(=O)[C@]1(C)C[C@@H](NCc2ccc(F)cc2)C23CCC1(C2)C3
InChIInChI=1S/C19H24FNO2/c1-17(16(22)23-2)9-15(18-7-8-19(17,11-18)12-18)21-10-13-3-5-14(20)6-4-13/h3-6,15,21H,7-12H2,1-2H3/t15-,17+,18?,19?/m1/s1
InChIKeySSOBYJKFQMYPAI-SVUBNXHSSA-N
MW317.40 g/mol
LogP3.43
Rot. Bonds4

About methyl (2R,4R)-4-[(4-fluorophenyl)methylamino]-2-methyltricyclo[3.2.1.11,5]nonane-2-carboxylate

methyl (2R,4R)-4-[(4-fluorophenyl)methylamino]-2-methyltricyclo[3.2.1.11,5]nonane-2-carboxylate (PubChem CID 163974092) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is methyl (2R,4R)-4-[(4-fluorophenyl)methylamino]-2-methyltricyclo[3.2.1.11,5]nonane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R)-4-[(4-fluorophenyl)methylamino]-2-methyltricyclo[3.2.1.11,5]nonane-2-carboxylate
PubChem CID163974092
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC Namemethyl (2R,4R)-4-[(4-fluorophenyl)methylamino]-2-methyltricyclo[3.2.1.11,5]nonane-2-carboxylate
SMILESCOC(=O)[C@]1(C)C[C@@H](NCc2ccc(F)cc2)C23CCC1(C2)C3
InChIInChI=1S/C19H24FNO2/c1-17(16(22)23-2)9-15(18-7-8-19(17,11-18)12-18)21-10-13-3-5-14(20)6-4-13/h3-6,15,21H,7-12H2,1-2H3/t15-,17+,18?,19?/m1/s1
InChIKeySSOBYJKFQMYPAI-SVUBNXHSSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (2R,4R)-4-[(4-fluorophenyl)methylamino]-2-methyltricyclo[3.2.1.11,5]nonane-2-carboxylate with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112681857
methyl 2-[(4-fluorophenyl)methylamino]-2-azabicyclo[3.1.0]hexane-1-carboxylate
CID 72565182
methyl (1R,5R)-2-[(4-fluorophenyl)methylamino]-2-azabicyclo[3.1.0]hexane-1-carboxylate
CID 69167573
N-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine;oxalic acid
CID 17052859
1-[(4-fluorophenyl)methyl]-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214597
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220
cis-methyl (1R,2R)-1-(4-fluorobenzoyl)-2-phenylcyclopropane-1-carboxylate
CID 44557655
methyl (2S,3R)-3-[(4-fluorophenyl)methylamino]bicyclo[2.2.2]octane-2-carboxylate
CID 66673609
N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 18858651
4-[[(2,2-dimethylcyclopropyl)amino]methyl]benzamide
CID 61223755
N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 2972825
1-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999112

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-4-[(4-fluorophenyl)methylamino]-2-methyltricyclo[3.2.1.11,5]nonane-2-carboxylate?
The IUPAC name of methyl (2R,4R)-4-[(4-fluorophenyl)methylamino]-2-methyltricyclo[3.2.1.11,5]nonane-2-carboxylate (CID 163974092) is methyl (2R,4R)-4-[(4-fluorophenyl)methylamino]-2-methyltricyclo[3.2.1.11,5]nonane-2-carboxylate.
What is the SMILES notation for methyl (2R,4R)-4-[(4-fluorophenyl)methylamino]-2-methyltricyclo[3.2.1.11,5]nonane-2-carboxylate?
The canonical SMILES for methyl (2R,4R)-4-[(4-fluorophenyl)methylamino]-2-methyltricyclo[3.2.1.11,5]nonane-2-carboxylate is COC(=O)[C@]1(C)C[C@@H](NCc2ccc(F)cc2)C23CCC1(C2)C3.
What is the InChIKey of methyl (2R,4R)-4-[(4-fluorophenyl)methylamino]-2-methyltricyclo[3.2.1.11,5]nonane-2-carboxylate?
The InChIKey is SSOBYJKFQMYPAI-SVUBNXHSSA-N. The full InChI is InChI=1S/C19H24FNO2/c1-17(16(22)23-2)9-15(18-7-8-19(17,11-18)12-18)21-10-13-3-5-14(20)6-4-13/h3-6,15,21H,7-12H2,1-2H3/t15-,17+,18?,19?/m1/s1.
What are the key properties of methyl (2R,4R)-4-[(4-fluorophenyl)methylamino]-2-methyltricyclo[3.2.1.11,5]nonane-2-carboxylate?
methyl (2R,4R)-4-[(4-fluorophenyl)methylamino]-2-methyltricyclo[3.2.1.11,5]nonane-2-carboxylate has a molecular weight of 317.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R)-4-[(4-fluorophenyl)methylamino]-2-methyltricyclo[3.2.1.11,5]nonane-2-carboxylate is sourced from PubChem (CID 163974092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).