2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one

C13H19NO3 — CID 116593953

IUPAC2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one
SMILESCOCC(N)C(=O)c1ccccc1OC(C)C
InChIInChI=1S/C13H19NO3/c1-9(2)17-12-7-5-4-6-10(12)13(15)11(14)8-16-3/h4-7,9,11H,8,14H2,1-3H3
InChIKeyVTQBVHAMQJLMPJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.63
Rot. Bonds6

About 2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one

2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one (PubChem CID 116593953) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one
PubChem CID116593953
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one
SMILESCOCC(N)C(=O)c1ccccc1OC(C)C
InChIInChI=1S/C13H19NO3/c1-9(2)17-12-7-5-4-6-10(12)13(15)11(14)8-16-3/h4-7,9,11H,8,14H2,1-3H3
InChIKeyVTQBVHAMQJLMPJ-UHFFFAOYSA-N
XLogP1.63
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methoxy-N-(2-propan-2-yloxyphenyl)propanamide
CID 81083212
2-amino-2-phenyl-1-(2-propan-2-yloxyphenyl)ethanone
CID 116551128
propyl 2-propan-2-yloxybenzoate
CID 82186328
(2S)-2-amino-3-methoxy-1-phenylpropan-1-one
CID 68527964
2-propan-2-yloxybenzoyl chloride
CID 15921914
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one
CID 75357386
[3-(2-methoxyethoxycarbonyl)phenyl] 2-propan-2-yloxybenzoate
CID 17170897
N-(2-methoxyethylcarbamothioyl)-2-propan-2-yloxybenzamide
CID 17045861
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone
CID 146008297
2-amino-1-(2,5-dimethylphenyl)-3-methoxypropan-1-one
CID 116594205

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one?
The IUPAC name of 2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one (CID 116593953) is 2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one.
What is the SMILES notation for 2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one?
The canonical SMILES for 2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one is COCC(N)C(=O)c1ccccc1OC(C)C.
What is the InChIKey of 2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one?
The InChIKey is VTQBVHAMQJLMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)17-12-7-5-4-6-10(12)13(15)11(14)8-16-3/h4-7,9,11H,8,14H2,1-3H3.
What are the key properties of 2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one?
2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one has a molecular weight of 237.30 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one is sourced from PubChem (CID 116593953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).