1-[(2-methoxy-4-propan-2-ylphenyl)methylamino]propan-2-one

C14H21NO2 — CID 115234731

IUPAC1-[(2-methoxy-4-propan-2-ylphenyl)methylamino]propan-2-one
SMILESCOc1cc(C(C)C)ccc1CNCC(C)=O
InChIInChI=1S/C14H21NO2/c1-10(2)12-5-6-13(14(7-12)17-4)9-15-8-11(3)16/h5-7,10,15H,8-9H2,1-4H3
InChIKeySWGOATAFVBXMPZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.50
Rot. Bonds6

About 1-[(2-methoxy-4-propan-2-ylphenyl)methylamino]propan-2-one

1-[(2-methoxy-4-propan-2-ylphenyl)methylamino]propan-2-one (PubChem CID 115234731) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(2-methoxy-4-propan-2-ylphenyl)methylamino]propan-2-one.

Molecular Properties

Compound Name1-[(2-methoxy-4-propan-2-ylphenyl)methylamino]propan-2-one
PubChem CID115234731
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[(2-methoxy-4-propan-2-ylphenyl)methylamino]propan-2-one
SMILESCOc1cc(C(C)C)ccc1CNCC(C)=O
InChIInChI=1S/C14H21NO2/c1-10(2)12-5-6-13(14(7-12)17-4)9-15-8-11(3)16/h5-7,10,15H,8-9H2,1-4H3
InChIKeySWGOATAFVBXMPZ-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194650
2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide
CID 115152376
4-[(2-methoxy-5-propan-2-ylphenyl)methylamino]butan-2-one
CID 115235635
ethyl N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamate
CID 110782911
N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198519
N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-N-methylpropane-1,3-diamine
CID 115197846
2-(2-methoxy-4-propan-2-ylphenyl)acetamide
CID 82492357
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 110780628
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
N-[2-[(2-methoxy-4-propan-2-ylphenyl)methylamino]-2-oxoethyl]benzamide
CID 110794193
2-(2-methoxy-4-propan-2-ylphenyl)-N-prop-2-enylacetamide
CID 110769385
1-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl-methylamino]propan-2-one
CID 115235168

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-4-propan-2-ylphenyl)methylamino]propan-2-one?
The IUPAC name of 1-[(2-methoxy-4-propan-2-ylphenyl)methylamino]propan-2-one (CID 115234731) is 1-[(2-methoxy-4-propan-2-ylphenyl)methylamino]propan-2-one.
What is the SMILES notation for 1-[(2-methoxy-4-propan-2-ylphenyl)methylamino]propan-2-one?
The canonical SMILES for 1-[(2-methoxy-4-propan-2-ylphenyl)methylamino]propan-2-one is COc1cc(C(C)C)ccc1CNCC(C)=O.
What is the InChIKey of 1-[(2-methoxy-4-propan-2-ylphenyl)methylamino]propan-2-one?
The InChIKey is SWGOATAFVBXMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)12-5-6-13(14(7-12)17-4)9-15-8-11(3)16/h5-7,10,15H,8-9H2,1-4H3.
What are the key properties of 1-[(2-methoxy-4-propan-2-ylphenyl)methylamino]propan-2-one?
1-[(2-methoxy-4-propan-2-ylphenyl)methylamino]propan-2-one has a molecular weight of 235.33 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-4-propan-2-ylphenyl)methylamino]propan-2-one is sourced from PubChem (CID 115234731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).