4-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-fluorophenyl)butan-1-one

C17H22FNO — CID 64521188

IUPAC4-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-fluorophenyl)butan-1-one
SMILESO=C(CCCN(CC1CC1)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C17H22FNO/c18-15-7-5-14(6-8-15)17(20)2-1-11-19(16-9-10-16)12-13-3-4-13/h5-8,13,16H,1-4,9-12H2
InChIKeyOUHVGECVCVTGEN-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.66
Rot. Bonds8

About 4-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-fluorophenyl)butan-1-one

4-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-fluorophenyl)butan-1-one (PubChem CID 64521188) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 4-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name4-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-fluorophenyl)butan-1-one
PubChem CID64521188
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name4-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-fluorophenyl)butan-1-one
SMILESO=C(CCCN(CC1CC1)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C17H22FNO/c18-15-7-5-14(6-8-15)17(20)2-1-11-19(16-9-10-16)12-13-3-4-13/h5-8,13,16H,1-4,9-12H2
InChIKeyOUHVGECVCVTGEN-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-4-[cyclopropyl(cyclopropylmethyl)amino]butan-1-one
CID 64522575
3-[butyl(cyclopropyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 61445346
3-cyclopropyl-1-(4-fluorophenyl)propan-1-one
CID 18507946
2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 60984494
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
1-(4-fluorophenyl)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-one
CID 63273502
2-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-methoxyphenyl)ethanone
CID 64522569
N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide
CID 61053717
4-[cyclopentyl(2-hydroxyethyl)amino]-1-phenylbutan-1-one
CID 62034933
1-(4-fluorophenyl)-5-hydroxypentan-1-one
CID 58518916
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone
CID 62030102
4-[cyclopropyl(methyl)amino]-1-phenylbutan-1-one
CID 43792894

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-fluorophenyl)butan-1-one?
The IUPAC name of 4-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-fluorophenyl)butan-1-one (CID 64521188) is 4-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for 4-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-fluorophenyl)butan-1-one?
The canonical SMILES for 4-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-fluorophenyl)butan-1-one is O=C(CCCN(CC1CC1)C1CC1)c1ccc(F)cc1.
What is the InChIKey of 4-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-fluorophenyl)butan-1-one?
The InChIKey is OUHVGECVCVTGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c18-15-7-5-14(6-8-15)17(20)2-1-11-19(16-9-10-16)12-13-3-4-13/h5-8,13,16H,1-4,9-12H2.
What are the key properties of 4-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-fluorophenyl)butan-1-one?
4-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-fluorophenyl)butan-1-one has a molecular weight of 275.37 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 64521188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).