2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-one

C14H19NO2 — CID 82100823

IUPAC2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-one
SMILESCCOc1ccc(C(=O)C(C)NC2CC2)cc1
InChIInChI=1S/C14H19NO2/c1-3-17-13-8-4-11(5-9-13)14(16)10(2)15-12-6-7-12/h4-5,8-10,12,15H,3,6-7H2,1-2H3
InChIKeyVRSOVJYKLWPWFO-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.41
Rot. Bonds6

About 2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-one

2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-one (PubChem CID 82100823) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-one
PubChem CID82100823
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-one
SMILESCCOc1ccc(C(=O)C(C)NC2CC2)cc1
InChIInChI=1S/C14H19NO2/c1-3-17-13-8-4-11(5-9-13)14(16)10(2)15-12-6-7-12/h4-5,8-10,12,15H,3,6-7H2,1-2H3
InChIKeyVRSOVJYKLWPWFO-UHFFFAOYSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-1-(4-ethylphenyl)propan-1-one
CID 82100230
1-(4-ethoxyphenyl)-2-(2-methylpropylamino)propan-1-one
CID 82100788
N-[4-[2-(cyclopropylamino)propanoyl]phenyl]acetamide;hydrochloride
CID 3024747
1-(4-ethoxyphenyl)-2-(prop-2-enylamino)propan-1-one
CID 82100798
2-[2-(dimethylamino)ethylamino]-1-(4-ethoxyphenyl)propan-1-one
CID 82100821
4-[1-(4-ethoxyphenyl)ethylamino]cyclohexane-1-carboxamide
CID 43748803
1-(4-ethoxyphenyl)-3-methyl-2-(methylamino)butan-1-one
CID 112512233
4-(4-ethoxyphenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414442
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133115
2-(cyclohexylamino)-2-(4-ethoxyphenyl)acetamide
CID 60998636
N-[1-(4-ethoxyphenyl)ethyl]thian-4-amine
CID 43233377
3-(cyclopropylamino)-4-(4-methoxyphenyl)-4-oxobutanoic acid
CID 82322525

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-one?
The IUPAC name of 2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-one (CID 82100823) is 2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-one.
What is the SMILES notation for 2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-one?
The canonical SMILES for 2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-one is CCOc1ccc(C(=O)C(C)NC2CC2)cc1.
What is the InChIKey of 2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-one?
The InChIKey is VRSOVJYKLWPWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-17-13-8-4-11(5-9-13)14(16)10(2)15-12-6-7-12/h4-5,8-10,12,15H,3,6-7H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-one?
2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-one is sourced from PubChem (CID 82100823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).