2-amino-1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-one

C14H21NO2 — CID 116915369

IUPAC2-amino-1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-one
SMILESCOc1cc(C(C)C)ccc1C(=O)C(C)(C)N
InChIInChI=1S/C14H21NO2/c1-9(2)10-6-7-11(12(8-10)17-5)13(16)14(3,4)15/h6-9H,15H2,1-5H3
InChIKeyJKQCYYZVHMNHFF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.74
Rot. Bonds4

About 2-amino-1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-one

2-amino-1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-one (PubChem CID 116915369) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-one
PubChem CID116915369
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-amino-1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-one
SMILESCOc1cc(C(C)C)ccc1C(=O)C(C)(C)N
InChIInChI=1S/C14H21NO2/c1-9(2)10-6-7-11(12(8-10)17-5)13(16)14(3,4)15/h6-9H,15H2,1-5H3
InChIKeyJKQCYYZVHMNHFF-UHFFFAOYSA-N
XLogP2.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-methoxy-4-propan-2-ylbenzamide
CID 110762942
ethyl 2-methoxy-4-propan-2-ylbenzoate
CID 116964804
2-amino-3-(2-methoxy-4-propan-2-ylphenyl)-3-oxopropanoic acid
CID 116920512
(E)-3-(2-methoxy-4-propan-2-ylphenyl)-4-methylpent-2-enoic acid
CID 82302738
2-methoxy-N-(2-methylpropyl)-4-propan-2-ylbenzamide
CID 110762907
1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone
CID 98784318
N-(3-amino-2-methylpropyl)-2-methoxy-4-propan-2-ylbenzamide
CID 115271618
2-(2-methoxy-4-propan-2-ylbenzoyl)-3-methylbutanenitrile
CID 116923792
1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropane-1,2-diamine
CID 116932641
2-(2-methoxy-4-propan-2-ylphenyl)acetamide
CID 82492357
2-amino-1-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-one
CID 116915377
N-(3-hydroxypropyl)-2-methoxy-4-propan-2-ylbenzamide
CID 98016200

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-one (CID 116915369) is 2-amino-1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-one is COc1cc(C(C)C)ccc1C(=O)C(C)(C)N.
What is the InChIKey of 2-amino-1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-one?
The InChIKey is JKQCYYZVHMNHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9(2)10-6-7-11(12(8-10)17-5)13(16)14(3,4)15/h6-9H,15H2,1-5H3.
What are the key properties of 2-amino-1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-one?
2-amino-1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-one has a molecular weight of 235.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 116915369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).