1-[4-(2-cyclopropylpropylamino)phenyl]ethanone

C14H19NO — CID 114468453

IUPAC1-[4-(2-cyclopropylpropylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NCC(C)C2CC2)cc1
InChIInChI=1S/C14H19NO/c1-10(12-3-4-12)9-15-14-7-5-13(6-8-14)11(2)16/h5-8,10,12,15H,3-4,9H2,1-2H3
InChIKeyMRUOVMHMRHYLBP-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.35
Rot. Bonds5

About 1-[4-(2-cyclopropylpropylamino)phenyl]ethanone

1-[4-(2-cyclopropylpropylamino)phenyl]ethanone (PubChem CID 114468453) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[4-(2-cyclopropylpropylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-cyclopropylpropylamino)phenyl]ethanone
PubChem CID114468453
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[4-(2-cyclopropylpropylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NCC(C)C2CC2)cc1
InChIInChI=1S/C14H19NO/c1-10(12-3-4-12)9-15-14-7-5-13(6-8-14)11(2)16/h5-8,10,12,15H,3-4,9H2,1-2H3
InChIKeyMRUOVMHMRHYLBP-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopropylpropyl)-4-(trifluoromethylsulfonyl)aniline
CID 115591442
2-bromo-4-(2-cyclopropylpropylamino)benzoic acid
CID 107282287
1-[4-(2-ethoxypropylamino)phenyl]ethanone
CID 114468455
N-(2-cyclopropylpropyl)-4-(difluoromethylsulfonyl)aniline
CID 115591435
1-[4-[(4-aminocyclohexyl)methylamino]phenyl]ethanone
CID 59230003
1-[4-(2-cyclobutylethylamino)phenyl]ethanone
CID 114468462
1-[4-(propylamino)phenyl]ethanone
CID 7304598
6-(2-cyclopropylpropylamino)-N,N-dimethylpyridine-3-carboxamide
CID 115623811
1-[4-(3,3-difluoropropylamino)phenyl]ethanone
CID 84679618
methyl 4-[(2-cyclopropylpropylamino)methyl]benzoate
CID 115905006
1-[4-[(2-methylcyclopentyl)methylamino]phenyl]ethanone
CID 107419214
4-(2-cyclopropylpropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 115620851

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclopropylpropylamino)phenyl]ethanone?
The IUPAC name of 1-[4-(2-cyclopropylpropylamino)phenyl]ethanone (CID 114468453) is 1-[4-(2-cyclopropylpropylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2-cyclopropylpropylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-(2-cyclopropylpropylamino)phenyl]ethanone is CC(=O)c1ccc(NCC(C)C2CC2)cc1.
What is the InChIKey of 1-[4-(2-cyclopropylpropylamino)phenyl]ethanone?
The InChIKey is MRUOVMHMRHYLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10(12-3-4-12)9-15-14-7-5-13(6-8-14)11(2)16/h5-8,10,12,15H,3-4,9H2,1-2H3.
What are the key properties of 1-[4-(2-cyclopropylpropylamino)phenyl]ethanone?
1-[4-(2-cyclopropylpropylamino)phenyl]ethanone has a molecular weight of 217.31 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclopropylpropylamino)phenyl]ethanone is sourced from PubChem (CID 114468453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).