2-[cyclopropyl(3-methylbutyl)amino]-1-(3-fluorophenyl)ethanone

C16H22FNO — CID 78974150

IUPAC2-[cyclopropyl(3-methylbutyl)amino]-1-(3-fluorophenyl)ethanone
SMILESCC(C)CCN(CC(=O)c1cccc(F)c1)C1CC1
InChIInChI=1S/C16H22FNO/c1-12(2)8-9-18(15-6-7-15)11-16(19)13-4-3-5-14(17)10-13/h3-5,10,12,15H,6-9,11H2,1-2H3
InChIKeyJEAUQRZCOBSTST-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.52
Rot. Bonds7

About 2-[cyclopropyl(3-methylbutyl)amino]-1-(3-fluorophenyl)ethanone

2-[cyclopropyl(3-methylbutyl)amino]-1-(3-fluorophenyl)ethanone (PubChem CID 78974150) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[cyclopropyl(3-methylbutyl)amino]-1-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(3-methylbutyl)amino]-1-(3-fluorophenyl)ethanone
PubChem CID78974150
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name2-[cyclopropyl(3-methylbutyl)amino]-1-(3-fluorophenyl)ethanone
SMILESCC(C)CCN(CC(=O)c1cccc(F)c1)C1CC1
InChIInChI=1S/C16H22FNO/c1-12(2)8-9-18(15-6-7-15)11-16(19)13-4-3-5-14(17)10-13/h3-5,10,12,15H,6-9,11H2,1-2H3
InChIKeyJEAUQRZCOBSTST-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone
CID 60681563
1-(3-bromophenyl)-2-[cyclopropyl(2-methylpropyl)amino]ethanone
CID 55001694
4-[2-[cyclopropyl(3-methylbutyl)amino]acetyl]benzonitrile
CID 78974112
2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone
CID 43795891
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 62030145
1-(3-chlorophenyl)-2-[cyclopropyl(propyl)amino]ethanone
CID 43795533
1-(3-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone
CID 43227335
2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-difluorophenyl)ethanone
CID 55001742
1-(3-bromothiophen-2-yl)-2-[cyclopropyl(3-methylbutyl)amino]ethanone
CID 78974133
3-[cyclopentyl(2-hydroxyethyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62619727
2-[cyclopropyl(propyl)amino]-1-(2,6-difluorophenyl)ethanone
CID 43795478
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone
CID 43794974

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(3-methylbutyl)amino]-1-(3-fluorophenyl)ethanone?
The IUPAC name of 2-[cyclopropyl(3-methylbutyl)amino]-1-(3-fluorophenyl)ethanone (CID 78974150) is 2-[cyclopropyl(3-methylbutyl)amino]-1-(3-fluorophenyl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(3-methylbutyl)amino]-1-(3-fluorophenyl)ethanone?
The canonical SMILES for 2-[cyclopropyl(3-methylbutyl)amino]-1-(3-fluorophenyl)ethanone is CC(C)CCN(CC(=O)c1cccc(F)c1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(3-methylbutyl)amino]-1-(3-fluorophenyl)ethanone?
The InChIKey is JEAUQRZCOBSTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-12(2)8-9-18(15-6-7-15)11-16(19)13-4-3-5-14(17)10-13/h3-5,10,12,15H,6-9,11H2,1-2H3.
What are the key properties of 2-[cyclopropyl(3-methylbutyl)amino]-1-(3-fluorophenyl)ethanone?
2-[cyclopropyl(3-methylbutyl)amino]-1-(3-fluorophenyl)ethanone has a molecular weight of 263.36 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(3-methylbutyl)amino]-1-(3-fluorophenyl)ethanone is sourced from PubChem (CID 78974150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).