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

C13H17NO — CID 116564403

IUPAC3-amino-2-methyl-1-(2-phenylcyclopropyl)propan-1-one
SMILESCC(CN)C(=O)C1CC1c1ccccc1
InChIInChI=1S/C13H17NO/c1-9(8-14)13(15)12-7-11(12)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8,14H2,1H3
InChIKeyTZTVTDQGWMXLDY-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.95
Rot. Bonds4

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

3-amino-2-methyl-1-(2-phenylcyclopropyl)propan-1-one (PubChem CID 116564403) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-amino-2-methyl-1-(2-phenylcyclopropyl)propan-1-one.

Molecular Properties

Compound Name3-amino-2-methyl-1-(2-phenylcyclopropyl)propan-1-one
PubChem CID116564403
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name3-amino-2-methyl-1-(2-phenylcyclopropyl)propan-1-one
SMILESCC(CN)C(=O)C1CC1c1ccccc1
InChIInChI=1S/C13H17NO/c1-9(8-14)13(15)12-7-11(12)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8,14H2,1H3
InChIKeyTZTVTDQGWMXLDY-UHFFFAOYSA-N
XLogP1.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one
CID 116586773
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
methyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate
CID 78971251
(1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 58155377
N-(2-hydroxypropyl)-N-methyl-2-phenylcyclopropane-1-carboxamide
CID 79543844
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165
2-phenylcyclopropane-1-carbothioamide
CID 86086576

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-(2-phenylcyclopropyl)propan-1-one?
The IUPAC name of 3-amino-2-methyl-1-(2-phenylcyclopropyl)propan-1-one (CID 116564403) is 3-amino-2-methyl-1-(2-phenylcyclopropyl)propan-1-one.
What is the SMILES notation for 3-amino-2-methyl-1-(2-phenylcyclopropyl)propan-1-one?
The canonical SMILES for 3-amino-2-methyl-1-(2-phenylcyclopropyl)propan-1-one is CC(CN)C(=O)C1CC1c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-1-(2-phenylcyclopropyl)propan-1-one?
The InChIKey is TZTVTDQGWMXLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(8-14)13(15)12-7-11(12)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8,14H2,1H3.
What are the key properties of 3-amino-2-methyl-1-(2-phenylcyclopropyl)propan-1-one?
3-amino-2-methyl-1-(2-phenylcyclopropyl)propan-1-one has a molecular weight of 203.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-(2-phenylcyclopropyl)propan-1-one is sourced from PubChem (CID 116564403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).