2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone

C17H22FNO — CID 63682994

IUPAC2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
SMILESCN(CC(=O)c1ccc(F)cc1)CC1CC2CCC1C2
InChIInChI=1S/C17H22FNO/c1-19(10-15-9-12-2-3-14(15)8-12)11-17(20)13-4-6-16(18)7-5-13/h4-7,12,14-15H,2-3,8-11H2,1H3
InChIKeyZXHWDIOKPDCYJM-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.38
Rot. Bonds5

About 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone

2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone (PubChem CID 63682994) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
PubChem CID63682994
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
SMILESCN(CC(=O)c1ccc(F)cc1)CC1CC2CCC1C2
InChIInChI=1S/C17H22FNO/c1-19(10-15-9-12-2-3-14(15)8-12)11-17(20)13-4-6-16(18)7-5-13/h4-7,12,14-15H,2-3,8-11H2,1H3
InChIKeyZXHWDIOKPDCYJM-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 60984494
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 63685539
4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3-fluorobenzoic acid
CID 63685182
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 63684187
1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432503
[2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-fluorophenyl]boronic acid
CID 63681815
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-trifluoro-N-methylbenzamide
CID 63682271
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-piperazin-1-ylethanone
CID 55226684
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(2-chlorophenyl)propan-1-one
CID 63681519
1-(4-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone
CID 63865706
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N-(2-hydroxyethyl)acetamide
CID 63683013
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydroxy-N-methylbenzamide
CID 107728501

Frequently Asked Questions

What is the IUPAC name of 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone (CID 63682994) is 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone is CN(CC(=O)c1ccc(F)cc1)CC1CC2CCC1C2.
What is the InChIKey of 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone?
The InChIKey is ZXHWDIOKPDCYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-19(10-15-9-12-2-3-14(15)8-12)11-17(20)13-4-6-16(18)7-5-13/h4-7,12,14-15H,2-3,8-11H2,1H3.
What are the key properties of 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone?
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone has a molecular weight of 275.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 63682994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).