1-[cyclopropylmethyl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one

C15H20FNO — CID 63955214

IUPAC1-[cyclopropylmethyl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one
SMILESCCN(CC(=O)Cc1ccc(F)cc1)CC1CC1
InChIInChI=1S/C15H20FNO/c1-2-17(10-13-3-4-13)11-15(18)9-12-5-7-14(16)8-6-12/h5-8,13H,2-4,9-11H2,1H3
InChIKeyCDSYJUIKMLQSLD-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.67
Rot. Bonds7

About 1-[cyclopropylmethyl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one

1-[cyclopropylmethyl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one (PubChem CID 63955214) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-[cyclopropylmethyl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-[cyclopropylmethyl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one
PubChem CID63955214
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name1-[cyclopropylmethyl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one
SMILESCCN(CC(=O)Cc1ccc(F)cc1)CC1CC1
InChIInChI=1S/C15H20FNO/c1-2-17(10-13-3-4-13)11-15(18)9-12-5-7-14(16)8-6-12/h5-8,13H,2-4,9-11H2,1H3
InChIKeyCDSYJUIKMLQSLD-UHFFFAOYSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]-N,N-dimethylacetamide
CID 62034961
1-[butan-2-yl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 43795966
2-[cyclopropylmethyl(ethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 63956842
2-[cyanomethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]acetonitrile
CID 62051345
N-(2-amino-4-fluorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63957144
2-[ethyl(piperidin-3-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride
CID 119929420
N-cyclopentyl-N-ethyl-2-(4-fluorophenyl)acetamide
CID 86926966
1-(4-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-2-one
CID 62052606
1-(4-fluorophenyl)-3-(4-propylpiperidin-1-yl)propan-2-one
CID 62206992
N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide
CID 113330077
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(4-fluorophenyl)propan-2-one
CID 105415832
2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 60984494

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropylmethyl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one?
The IUPAC name of 1-[cyclopropylmethyl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one (CID 63955214) is 1-[cyclopropylmethyl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-[cyclopropylmethyl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one?
The canonical SMILES for 1-[cyclopropylmethyl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one is CCN(CC(=O)Cc1ccc(F)cc1)CC1CC1.
What is the InChIKey of 1-[cyclopropylmethyl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one?
The InChIKey is CDSYJUIKMLQSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-2-17(10-13-3-4-13)11-15(18)9-12-5-7-14(16)8-6-12/h5-8,13H,2-4,9-11H2,1H3.
What are the key properties of 1-[cyclopropylmethyl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one?
1-[cyclopropylmethyl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one has a molecular weight of 249.33 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropylmethyl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one is sourced from PubChem (CID 63955214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).