3-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one

C15H20FNO — CID 94268189

IUPAC3-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one
SMILESCc1cc(C(=O)CCNC2CCCC2)ccc1F
InChIInChI=1S/C15H20FNO/c1-11-10-12(6-7-14(11)16)15(18)8-9-17-13-4-2-3-5-13/h6-7,10,13,17H,2-5,8-9H2,1H3
InChIKeyBVZLEJQDFZVCQF-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.24
Rot. Bonds5

About 3-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one

3-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one (PubChem CID 94268189) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one
PubChem CID94268189
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name3-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one
SMILESCc1cc(C(=O)CCNC2CCCC2)ccc1F
InChIInChI=1S/C15H20FNO/c1-11-10-12(6-7-14(11)16)15(18)8-9-17-13-4-2-3-5-13/h6-7,10,13,17H,2-5,8-9H2,1H3
InChIKeyBVZLEJQDFZVCQF-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopropylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one
CID 94258396
2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone
CID 82116606
N-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride
CID 91659401
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone
CID 55096170
N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclopentanecarboxamide
CID 82122155
1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-one
CID 98017254
N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclohexanecarboxamide
CID 94285899
3-(cyclopropylamino)-1-(6-methyl-3-pyridinyl)propan-1-one
CID 116559219
1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050231
1-(4-fluoro-3-methylphenyl)pentan-1-one
CID 62619864
N-(2-cyclopentylethyl)-4-fluoro-3-methylbenzamide
CID 63212188
7-chloro-1-(4-fluoro-3-methylphenyl)heptan-1-one
CID 24726762

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one?
The IUPAC name of 3-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one (CID 94268189) is 3-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one?
The canonical SMILES for 3-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one is Cc1cc(C(=O)CCNC2CCCC2)ccc1F.
What is the InChIKey of 3-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one?
The InChIKey is BVZLEJQDFZVCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-11-10-12(6-7-14(11)16)15(18)8-9-17-13-4-2-3-5-13/h6-7,10,13,17H,2-5,8-9H2,1H3.
What are the key properties of 3-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one?
3-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one has a molecular weight of 249.33 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one is sourced from PubChem (CID 94268189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).