2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone

C13H16FNO — CID 60984494

IUPAC2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
SMILESCN(CC(=O)c1ccc(F)cc1)CC1CC1
InChIInChI=1S/C13H16FNO/c1-15(8-10-2-3-10)9-13(16)11-4-6-12(14)7-5-11/h4-7,10H,2-3,8-9H2,1H3
InChIKeyFZQDRTVEPVEXIX-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.35
Rot. Bonds5

About 2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone

2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone (PubChem CID 60984494) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
PubChem CID60984494
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
SMILESCN(CC(=O)c1ccc(F)cc1)CC1CC1
InChIInChI=1S/C13H16FNO/c1-15(8-10-2-3-10)9-13(16)11-4-6-12(14)7-5-11/h4-7,10H,2-3,8-9H2,1H3
InChIKeyFZQDRTVEPVEXIX-UHFFFAOYSA-N
XLogP2.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432503
2-[cyclopentylmethyl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 63631436
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 63682994
2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
CID 61446447
3-cyclopropyl-1-(4-fluorophenyl)propan-1-one
CID 18507946
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-fluorophenyl)ethanone
CID 105415757
2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 63630556
1-(4-fluorophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60891207
2-[cyclopentylmethyl(methyl)amino]-1-(3,4-dihydroxyphenyl)ethanone
CID 63632491
4-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-fluorophenyl)butan-1-one
CID 64521188
1-(4-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 114950412
1-(4-fluorophenyl)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-one
CID 63273502

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone (CID 60984494) is 2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone is CN(CC(=O)c1ccc(F)cc1)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone?
The InChIKey is FZQDRTVEPVEXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-15(8-10-2-3-10)9-13(16)11-4-6-12(14)7-5-11/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone?
2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone has a molecular weight of 221.28 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 60984494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).