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

C14H18FNO — CID 43794948

IUPAC1-[cyclopropyl(ethyl)amino]-3-(2-fluorophenyl)propan-2-one
SMILESCCN(CC(=O)Cc1ccccc1F)C1CC1
InChIInChI=1S/C14H18FNO/c1-2-16(12-7-8-12)10-13(17)9-11-5-3-4-6-14(11)15/h3-6,12H,2,7-10H2,1H3
InChIKeyCDMKEMFLBYIXTD-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.42
Rot. Bonds6

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

1-[cyclopropyl(ethyl)amino]-3-(2-fluorophenyl)propan-2-one (PubChem CID 43794948) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-[cyclopropyl(ethyl)amino]-3-(2-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-[cyclopropyl(ethyl)amino]-3-(2-fluorophenyl)propan-2-one
PubChem CID43794948
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-[cyclopropyl(ethyl)amino]-3-(2-fluorophenyl)propan-2-one
SMILESCCN(CC(=O)Cc1ccccc1F)C1CC1
InChIInChI=1S/C14H18FNO/c1-2-16(12-7-8-12)10-13(17)9-11-5-3-4-6-14(11)15/h3-6,12H,2,7-10H2,1H3
InChIKeyCDMKEMFLBYIXTD-UHFFFAOYSA-N
XLogP2.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclopropyl(2-methylpropyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 55002178
1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-one
CID 43794247
2-[ethyl-[3-(2-fluorophenyl)-2-oxopropyl]amino]acetamide
CID 103103060
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
N-cyclopropyl-2-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]acetamide
CID 62035342
1-(2-fluorophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-one
CID 63236723
1-(2-fluorophenyl)-3-[methyl(4-methylpentan-2-yl)amino]propan-2-one
CID 54999548
1-(2-fluorophenyl)-3-[methyl(pentyl)amino]propan-2-one
CID 43796057
2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 63572317
1-[ethyl(1-methoxypropan-2-yl)amino]-3-(2-fluorophenyl)propan-2-one
CID 55010600
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
1-cyclobutyl-3-(2-fluorophenyl)propan-2-one
CID 65457629

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(ethyl)amino]-3-(2-fluorophenyl)propan-2-one?
The IUPAC name of 1-[cyclopropyl(ethyl)amino]-3-(2-fluorophenyl)propan-2-one (CID 43794948) is 1-[cyclopropyl(ethyl)amino]-3-(2-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-[cyclopropyl(ethyl)amino]-3-(2-fluorophenyl)propan-2-one?
The canonical SMILES for 1-[cyclopropyl(ethyl)amino]-3-(2-fluorophenyl)propan-2-one is CCN(CC(=O)Cc1ccccc1F)C1CC1.
What is the InChIKey of 1-[cyclopropyl(ethyl)amino]-3-(2-fluorophenyl)propan-2-one?
The InChIKey is CDMKEMFLBYIXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-2-16(12-7-8-12)10-13(17)9-11-5-3-4-6-14(11)15/h3-6,12H,2,7-10H2,1H3.
What are the key properties of 1-[cyclopropyl(ethyl)amino]-3-(2-fluorophenyl)propan-2-one?
1-[cyclopropyl(ethyl)amino]-3-(2-fluorophenyl)propan-2-one has a molecular weight of 235.30 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(ethyl)amino]-3-(2-fluorophenyl)propan-2-one is sourced from PubChem (CID 43794948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).