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

C14H19NO — CID 116586773

IUPAC2-methyl-3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one
SMILESCNCC(C)C(=O)C1CC1c1ccccc1
InChIInChI=1S/C14H19NO/c1-10(9-15-2)14(16)13-8-12(13)11-6-4-3-5-7-11/h3-7,10,12-13,15H,8-9H2,1-2H3
InChIKeyNTBSMRIKDXCDPR-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.21
Rot. Bonds5

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

2-methyl-3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one (PubChem CID 116586773) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one
PubChem CID116586773
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-methyl-3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one
SMILESCNCC(C)C(=O)C1CC1c1ccccc1
InChIInChI=1S/C14H19NO/c1-10(9-15-2)14(16)13-8-12(13)11-6-4-3-5-7-11/h3-7,10,12-13,15H,8-9H2,1-2H3
InChIKeyNTBSMRIKDXCDPR-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-methyl-1-(2-phenylcyclopropyl)propan-1-one
CID 116564403
3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one
CID 116561052
2,2-dimethoxy-1-(2-phenylcyclopropyl)ethanone
CID 116517110
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
trans-(1S,2S)-N-[(2S)-butan-2-yl]-N-[(2R)-butan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 98329771
cis-(1R,2S)-N,N-bis[(2S)-butan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 40584792
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
(2S)-2-[(2-phenylcyclopropanecarbonyl)amino]hexanoic acid
CID 107144642
(2R)-4-hydroxy-2-[(2-phenylcyclopropanecarbonyl)amino]butanoic acid
CID 107823606
N-(4-bromobutan-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 83180682
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 110280040

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one?
The IUPAC name of 2-methyl-3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one (CID 116586773) is 2-methyl-3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one.
What is the SMILES notation for 2-methyl-3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one?
The canonical SMILES for 2-methyl-3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one is CNCC(C)C(=O)C1CC1c1ccccc1.
What is the InChIKey of 2-methyl-3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one?
The InChIKey is NTBSMRIKDXCDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10(9-15-2)14(16)13-8-12(13)11-6-4-3-5-7-11/h3-7,10,12-13,15H,8-9H2,1-2H3.
What are the key properties of 2-methyl-3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one?
2-methyl-3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one has a molecular weight of 217.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one is sourced from PubChem (CID 116586773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).