3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one

C13H17NO — CID 116561052

IUPAC3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one
SMILESCNCCC(=O)C1CC1c1ccccc1
InChIInChI=1S/C13H17NO/c1-14-8-7-13(15)12-9-11(12)10-5-3-2-4-6-10/h2-6,11-12,14H,7-9H2,1H3
InChIKeySGTYAFRQPIAZGX-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.97
Rot. Bonds5

About 3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one

3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one (PubChem CID 116561052) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one.

Molecular Properties

Compound Name3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one
PubChem CID116561052
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one
SMILESCNCCC(=O)C1CC1c1ccccc1
InChIInChI=1S/C13H17NO/c1-14-8-7-13(15)12-9-11(12)10-5-3-2-4-6-10/h2-6,11-12,14H,7-9H2,1H3
InChIKeySGTYAFRQPIAZGX-UHFFFAOYSA-N
XLogP1.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
6-amino-4,4-dimethyl-1-(2-phenylcyclopropyl)hexan-1-one
CID 116574742
3-methylsulfonyl-1-(2-phenylcyclopropyl)propan-1-one
CID 114969559
2-(tert-butylamino)-1-(2-phenylcyclopropyl)ethanone
CID 116588801
3-dimethoxyphosphoryl-1-[(1S,2S)-2-phenylcyclopropyl]propan-1-one
CID 10708009
methyl 3-oxo-3-[(1R,2R)-2-phenylcyclopropyl]propanoate
CID 101155586
4-ethylsulfonyl-1-(2-phenylcyclopropyl)butan-1-one
CID 114974523
2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanone
CID 105134784
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
1-(2-phenylcyclopropyl)hex-5-en-1-one
CID 114974761
2-methyl-3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one
CID 116586773

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one?
The IUPAC name of 3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one (CID 116561052) is 3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one.
What is the SMILES notation for 3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one?
The canonical SMILES for 3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one is CNCCC(=O)C1CC1c1ccccc1.
What is the InChIKey of 3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one?
The InChIKey is SGTYAFRQPIAZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-14-8-7-13(15)12-9-11(12)10-5-3-2-4-6-10/h2-6,11-12,14H,7-9H2,1H3.
What are the key properties of 3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one?
3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one has a molecular weight of 203.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one is sourced from PubChem (CID 116561052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).