1-[cyclopropyl(2-methylpropyl)amino]-3-(2-fluorophenyl)propan-2-one

C16H22FNO — CID 55002178

IUPAC1-[cyclopropyl(2-methylpropyl)amino]-3-(2-fluorophenyl)propan-2-one
SMILESCC(C)CN(CC(=O)Cc1ccccc1F)C1CC1
InChIInChI=1S/C16H22FNO/c1-12(2)10-18(14-7-8-14)11-15(19)9-13-5-3-4-6-16(13)17/h3-6,12,14H,7-11H2,1-2H3
InChIKeyJTXWWWZFWGKRIG-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.06
Rot. Bonds7

About 1-[cyclopropyl(2-methylpropyl)amino]-3-(2-fluorophenyl)propan-2-one

1-[cyclopropyl(2-methylpropyl)amino]-3-(2-fluorophenyl)propan-2-one (PubChem CID 55002178) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-[cyclopropyl(2-methylpropyl)amino]-3-(2-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-[cyclopropyl(2-methylpropyl)amino]-3-(2-fluorophenyl)propan-2-one
PubChem CID55002178
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name1-[cyclopropyl(2-methylpropyl)amino]-3-(2-fluorophenyl)propan-2-one
SMILESCC(C)CN(CC(=O)Cc1ccccc1F)C1CC1
InChIInChI=1S/C16H22FNO/c1-12(2)10-18(14-7-8-14)11-15(19)9-13-5-3-4-6-16(13)17/h3-6,12,14H,7-11H2,1-2H3
InChIKeyJTXWWWZFWGKRIG-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclopropyl(ethyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 43794948
1-(2-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-2-one
CID 62031287
1-(2-fluorophenyl)-3-[methyl(4-methylpentan-2-yl)amino]propan-2-one
CID 54999548
2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-difluorophenyl)ethanone
CID 55001742
2-[cyclohexyl(2-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 110923577
1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-one
CID 82951174
N-cyclopropyl-3-(2-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 86985273
N-[[(2R)-butan-2-yl]carbamoyl]-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 8978259
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 18088884
N-cyclopropyl-2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide
CID 96539492
1-(2-fluorophenyl)-6-methylheptane-2,4-dione
CID 58474750
3-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458520

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(2-methylpropyl)amino]-3-(2-fluorophenyl)propan-2-one?
The IUPAC name of 1-[cyclopropyl(2-methylpropyl)amino]-3-(2-fluorophenyl)propan-2-one (CID 55002178) is 1-[cyclopropyl(2-methylpropyl)amino]-3-(2-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-[cyclopropyl(2-methylpropyl)amino]-3-(2-fluorophenyl)propan-2-one?
The canonical SMILES for 1-[cyclopropyl(2-methylpropyl)amino]-3-(2-fluorophenyl)propan-2-one is CC(C)CN(CC(=O)Cc1ccccc1F)C1CC1.
What is the InChIKey of 1-[cyclopropyl(2-methylpropyl)amino]-3-(2-fluorophenyl)propan-2-one?
The InChIKey is JTXWWWZFWGKRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-12(2)10-18(14-7-8-14)11-15(19)9-13-5-3-4-6-16(13)17/h3-6,12,14H,7-11H2,1-2H3.
What are the key properties of 1-[cyclopropyl(2-methylpropyl)amino]-3-(2-fluorophenyl)propan-2-one?
1-[cyclopropyl(2-methylpropyl)amino]-3-(2-fluorophenyl)propan-2-one has a molecular weight of 263.36 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(2-methylpropyl)amino]-3-(2-fluorophenyl)propan-2-one is sourced from PubChem (CID 55002178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).