1-(cyclopropylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one

C13H16FNO — CID 114350364

IUPAC1-(cyclopropylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one
SMILESCc1cc(F)ccc1CC(=O)CNC1CC1
InChIInChI=1S/C13H16FNO/c1-9-6-11(14)3-2-10(9)7-13(16)8-15-12-4-5-12/h2-3,6,12,15H,4-5,7-8H2,1H3
InChIKeyKWXTXJMQWSALSS-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.00
Rot. Bonds5

About 1-(cyclopropylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one

1-(cyclopropylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one (PubChem CID 114350364) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one
PubChem CID114350364
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name1-(cyclopropylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one
SMILESCc1cc(F)ccc1CC(=O)CNC1CC1
InChIInChI=1S/C13H16FNO/c1-9-6-11(14)3-2-10(9)7-13(16)8-15-12-4-5-12/h2-3,6,12,15H,4-5,7-8H2,1H3
InChIKeyKWXTXJMQWSALSS-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 115812569
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347164
1-bromo-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 130882304
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347298
4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-2-one
CID 114347174
1-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-one
CID 114347218
1-N-cyclopropyl-2-N-[(4-fluoro-2-methylphenyl)methyl]propane-1,2-diamine
CID 113407488
4-(dimethylamino)-1-(4-fluoro-2-methylphenyl)butan-2-one
CID 114347338
N-[[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 114350178
1-(cyclopentylamino)-3-(3,4-dimethylphenyl)propan-2-one
CID 116559120
1-(2-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanone
CID 105396403

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one?
The IUPAC name of 1-(cyclopropylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one (CID 114350364) is 1-(cyclopropylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(cyclopropylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one?
The canonical SMILES for 1-(cyclopropylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one is Cc1cc(F)ccc1CC(=O)CNC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one?
The InChIKey is KWXTXJMQWSALSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-9-6-11(14)3-2-10(9)7-13(16)8-15-12-4-5-12/h2-3,6,12,15H,4-5,7-8H2,1H3.
What are the key properties of 1-(cyclopropylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one?
1-(cyclopropylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one has a molecular weight of 221.28 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one is sourced from PubChem (CID 114350364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).