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

C13H16FNO — CID 94258396

IUPAC3-(cyclopropylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one
SMILESCc1cc(C(=O)CCNC2CC2)ccc1F
InChIInChI=1S/C13H16FNO/c1-9-8-10(2-5-12(9)14)13(16)6-7-15-11-3-4-11/h2,5,8,11,15H,3-4,6-7H2,1H3
InChIKeyLRMYISDCPZIDAV-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.46
Rot. Bonds5

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

3-(cyclopropylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one (PubChem CID 94258396) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one
PubChem CID94258396
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name3-(cyclopropylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one
SMILESCc1cc(C(=O)CCNC2CC2)ccc1F
InChIInChI=1S/C13H16FNO/c1-9-8-10(2-5-12(9)14)13(16)6-7-15-11-3-4-11/h2,5,8,11,15H,3-4,6-7H2,1H3
InChIKeyLRMYISDCPZIDAV-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one
CID 94268189
N-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride
CID 91659401
2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone
CID 82116606
3-(cyclopropylamino)-1-(6-methyl-3-pyridinyl)propan-1-one
CID 116559219
1-(4-fluoro-3-methylphenyl)pentan-1-one
CID 62619864
N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 62664386
3-(cyclopropylamino)-N-(2,6-difluoro-3-methylphenyl)propanamide
CID 82818657
3-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 94266322
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone
CID 55096170
1-(aziridin-1-yl)-4-(4-fluoro-3-methylphenyl)butane-1,4-dione
CID 82116552
1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone
CID 82075088
1-(4-fluoro-3-methylphenyl)octan-1-one
CID 55186778

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one?
The IUPAC name of 3-(cyclopropylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one (CID 94258396) is 3-(cyclopropylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one?
The canonical SMILES for 3-(cyclopropylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one is Cc1cc(C(=O)CCNC2CC2)ccc1F.
What is the InChIKey of 3-(cyclopropylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one?
The InChIKey is LRMYISDCPZIDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-9-8-10(2-5-12(9)14)13(16)6-7-15-11-3-4-11/h2,5,8,11,15H,3-4,6-7H2,1H3.
What are the key properties of 3-(cyclopropylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one?
3-(cyclopropylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one has a molecular weight of 221.28 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one is sourced from PubChem (CID 94258396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).